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77 substances in Reaxys
2016-03-14 01h:49m:07s (EST)
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Reaxys ID 385941 View in Reaxys
1/77 CAS Registry Number: 140-29-4 Chemical Name: phenylacetonitrile; Phenylacetonitrile; Benzyl cyanide; Benzeneacetonitrile Linear Structure Formula: C6H5NCCH2 Molecular Formula: C8H7N Molecular Weight: 117.15 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-UHFFFAOYSA-N Note:
N
Substance Label (206) Label References 7a
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2e
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1a
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6a
Dalko, Peter I.; Langlois, Yves; Journal of Organic Chemistry; vol. 63; nb. 23; (1998); p. 8107 - 8117, View in Reaxys; Kimura, Mayumi; Kuboki, Atsuhito; Sugai, Takeshi; Tetrahedron Asymmetry; vol. 13; nb. 10; (2002); p. 1059 - 1068, View in Reaxys; Beier, Petr; Pastyrikova, Tereza; Beilstein Journal of Organic Chemistry; vol. 9; (2013); p. 411 - 416, View in Reaxys; Sheng, Rong; Li, Shan; Lin, Guanyu; Shangguan, Shihao; Gu, Yongchuan; Qiu, Ni; Cao, Ji; He, Qiaojun; Yang, Bo; Hu, Yongzhou; RSC Advances; vol. 5; nb. 100; (2015); p. 81817 - 81830, View in Reaxys
2h
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1j
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3
Banciu, Mircea D.; Istrati, Daniela; Mihaiescu, Dan; Draghici, Constantin; Molecules; vol. 5; nb. 8; (2000); p. 1004 - 1010, View in Reaxys; Brondel, Nicolas; Renoux, Brigitte; Gesson, Jean-Pierre; Tetrahedron Letters; vol. 47; nb. 52; (2006); p. 9305 - 9308, View in Reaxys; Patent; KANDULA, Mahesh; WO2013/168000; (2013); (A1) English, View in Reaxys; Patent; Acetylon Pharmaceuticals, Inc.; Jones, Simon Stewart; Yang, Min; Tamang, David Lee; US2015/105384; (2015); (A1) English, View in Reaxys; Patent; Kandula, Mahesh; US2015/152081; (2015); (A1) English, View in Reaxys
a
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1m
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3a
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2a
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Uwe; Synlett; nb. 10; (2003); p. 1503 - 1505, View in Reaxys; Grella; Cabras; Murineddu; Pau; Pinna; European Journal of Pharmaceutical Sciences; vol. 20; nb. 3; (2003); p. 267 - 272, View in Reaxys; Guillot, Regis; Loupy, Andre; Meddour, Abdelkrim; Pellet, Michele; Petit, Alain; Tetrahedron; vol. 61; nb. 42; (2005); p. 10129 - 10137, View in Reaxys; Mizuyama, Naoko; Tominaga, Yoshinori; Kohra, Shinya; Ueda, Kazuo; Hirayama, Shun-Ichi; Shigemitsu, Yasuhiro; Bulletin of the Chemical Society of Japan; vol. 79; nb. 4; (2006); p. 602 - 611, View in Reaxys; Albrecht, Uwe; Reinke, Helmut; Langer, Peter; Synthesis; nb. 18; (2006); p. 3067 - 3074, View in Reaxys; Jin, Jisong; Wen, Qiaodong; Lu, Ping; Wang, Yanguang; Chemical Communications; vol. 48; nb. 79; (2012); p. 9933 - 9935, View in Reaxys; Sharma, Sumeet K.; Lynch, James; Sobolewska, Anna M.; Plucinski, Pawel; Watson, Robert J.; Williams, Jonathan M. J.; Catalysis Science and Technology; vol. 3; nb. 1; (2013); p. 85 - 88, View in Reaxys; Sha, Feng; Shen, Hui; Wu, Xin-Yan; European Journal of Organic Chemistry; nb. 13; (2013); p. 2537 - 2540, View in Reaxys; Zhang, Lianpeng; Wen, Qiaodong; Jin, Jisong; Wang, Chen; Lu, Ping; Wang, Yanguang; Tetrahedron; vol. 69; nb. 21; (2013); p. 4236 - 4240, View in Reaxys; Wen, Qiaodong; Jin, Jisong; Mei, Yuncai; Lu, Ping; Wang, Yanguang; European Journal of Organic Chemistry; nb. 19; (2013); p. 4032 - 4036, View in Reaxys; Luo, Yan; Wen, Qiaodong; Wu, Zhiyuan; Jin, Jisong; Lu, Ping; Wang, Yanguang; Tetrahedron; vol. 69; nb. 39; (2013); p. 8400 - 8404, View in Reaxys; Daghigh, Leila Rezaei; Pordel, Mehdi; Davoodnia, Abolghasem; Journal of Chemical Research; vol. 38; nb. 4; (2014); p. 202 - 207, View in Reaxys; Feurer, Markus; Frey, Georg; Luu, Hieu-Trinh; Kratzert, Daniel; Streuff, Jan; Chemical Communications; vol. 50; nb. 40; (2014); p. 5370 - 5372, View in Reaxys; Kavala, Veerababurao; Wang, Cheng-Chuan; Wang, Yu-Hsuan; Kuo, Chun-Wei; Janreddy, Donala; Huang, Wen-Chang; Kuo, Ting-Shen; He, Chiu Hui; Chen, Mei-Ling; Yao, Ching-Fa; Advanced Synthesis and Catalysis; vol. 356; nb. 11-12; (2014); p. 2609 - 2626, View in Reaxys; Yang, Guang-Hui; Liu, Ming; Li, Na; Wu, Ran; Chen, Xu; Pan, Ling-Ling; Gao, Shang; Huang, Xing; Wang, Chen; Yu, ChuanMing; European Journal of Organic Chemistry; vol. 2015; nb. 3; (2015); p. 616 - 624, View in Reaxys; Chen, Jinju; Liu, Chuanxiang; Guan, Fengjie; Zhang, Chuanxiu; Ji, Kai; Wang, Xinyu; Xu, Min; Wu, Fanhong; Synlett; vol. 26; nb. 5; (2015); p. 609 - 612; Art.No: ST-2014-W0815-L, View in Reaxys; Kim, Seoksun; Hong, Soon Hyeok; Advanced Synthesis and Catalysis; vol. 357; nb. 5; (2015); p. 1004 - 1012, View in Reaxys; Orlov; Kotov; Tsivov; Rusakov; Russian Journal of Organic Chemistry; vol. 51; nb. 2; (2015); p. 245 - 252; Zh. Org. Khim.; vol. 51; nb. 2; (2015); p. 255 - 262,7, View in Reaxys; Luu, Hieu-Trinh; Wiesler, Stefan; Frey, Georg; Streuff, Jan; Organic Letters; vol. 17; nb. 10; (2015); p. 2478 - 2481, View in Reaxys; Nambo, Masakazu; Yar, Muhammad; Smith, Joel D.; Crudden, Cathleen M.; Organic Letters; vol. 17; nb. 1; (2015); p. 50 - 53, View in Reaxys; He, Wu; Zhou, Bin; Liu, Weijia; Zhang, Meizi; Shen, Zhenhua; Han, Zhifu; Jiang, Qingwei; Yang, Qinghua; Song, Chuanjun; Wang, Ruiyong; Niu, Tianhui; Han, Shengna; Zhang, Lirong; Wu, Jie; Guo, Feima; Zhao, Renbin; Yu, Wenquan; Chai, Jijie; Chang, Junbiao; Journal of Medicinal Chemistry; vol. 58; nb. 18; (2015); p. 7341 - 7348, View in Reaxys; Daghigh, Leila Rezaei; Pordel, Mehdi; Davoodnia, Abolghasem; Jajarmi, Maryam; Medicinal Chemistry Research; vol. 24; nb. 11; (2015); p. 3912 - 3919, View in Reaxys; Razmara, Samira; Pordel, Mehdi; Ebrahimi, Mahmoud; Chemistry of Heterocyclic Compounds; vol. 51; nb. 8; (2015); p. 713 - 716; Khim. Geterotsikl. Soedin.; vol. 51; nb. 8; (2015); p. 713 716,4, View in Reaxys; Matthessen, Roman; Claes, Laurens; Fransaer, Jan; Binnemans, Koen; De Vos, Dirk E.; European Journal of Organic Chemistry; vol. 2014; nb. 30; (2014); p. 6649 - 6652, View in Reaxys BC
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5
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1c
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2
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Wang, Anlai; Tandel, Sagun; Zhang, Hongming; Holdeman, Terra C.; Biehl, Edward R.; Tetrahedron; vol. 54; nb. 50; (1998); p. 15113 - 15120, View in Reaxys; Lisowski, Vincent; Vu, Duc Nghia; Feng, Xiao; Rault, Sylvain; Synthesis; nb. 6; (2002); p. 753 - 756, View in Reaxys; Kamila, Sukanta; Koh, Benjamin; Biehl, Edward R.; Synthetic Communications; vol. 36; nb. 23; (2006); p. 3493 - 3507, View in Reaxys; Chen, Yahong; Tian, Fengshou; Song, Maoping; Lu, Shiwei; Heteroatom Chemistry; vol. 19; nb. 2; (2008); p. 211 - 214, View in Reaxys; Dinca, Emanuela; Hartmann, Philip; Smrcek, Jakub; Dix, Ina; Jones, Peter G.; Jahn, Ullrich; European Journal of Organic Chemistry; nb. 24; (2012); p. 4461 - 4482, View in Reaxys; Kim, Bo Ram; Lee, Hyung-Geun; Kang, Seung-Beom; Jung, Kwang-Ju; Sung, Gi Hyeon; Kim, Jeum-Jong; Lee, SangGyeong; Yoon, Yong-Jin; Tetrahedron; vol. 69; nb. 48; (2013); p. 10331 - 10336, View in Reaxys
3b
Corres, Nazaret; Delgado, Jacinto J.; Garcia-Valverde, Maria; Marcaccini, Stefano; Rodriguez, Teresa; Rojo, Josefa; Torroba, Tomas; Tetrahedron; vol. 64; nb. 9; (2008); p. 2225 - 2232, View in Reaxys; Salaheldin, Abdellatif M.; Khairou, Khalid S.; Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences; vol. 68; nb. 2; (2013); p. 175 - 181, View in Reaxys; Taratayko, Andrey I.; Becker, Christina S.; Grigor'ev, Igor A.; Gatilov, Yurii V.; Rybalova, Tatyana V.; Reznikov, Vladimir A.; Arkivoc; vol. 2013; nb. 4; (2013); p. 272 - 290, View in Reaxys
BnCN
Kasak, Peter; Putala, Martin; Collection of Czechoslovak Chemical Communications; vol. 65; nb. 5; (2000); p. 729 - 740, View in Reaxys; Ding, Zongbiao; Xia, Shijing; Ji, Xiaojun; Yang, Haiyan; Tao, Fenggang; Wang, Quanrui; Synthesis; nb. 3; (2002); p. 349 - 354, View in Reaxys; Vasse, Jean-Luc; Szymoniak, Jan; Tetrahedron Letters; vol. 45; nb. 34; (2004); p. 6449 - 6451, View in Reaxys; Connolly, David J.; Lacey, Patrick M.; McCarthy, Mary; Saunders, Cormac P.; Carroll, Anne-Marie; Goddard, Richard; Guiry, Patrick J.; Journal of Organic Chemistry; vol. 69; nb. 20; (2004); p. 6572 - 6589, View in Reaxys; Sajiki, Hironao; Ikawa, Takashi; Hirota, Kosaku; Organic Letters; vol. 6; nb. 26; (2004); p. 4977 - 4980, View in Reaxys; Voronkov, Michael V.; Gontcharov, Alexander V.; Wang, Zhi-Min; Richardson, Paul F.; Kolb, Hartmuth C.; Tetrahedron; vol. 60; nb. 41; (2004); p. 9043 - 9048, View in Reaxys; Zhao, Baowei; Lu, Xiyan; Tetrahedron Letters; vol. 47; nb. 38; (2006); p. 6765 - 6768, View in Reaxys; Naidu, B. Narasimhulu; Synlett; nb. 4; (2008); p. 547 - 550, View in Reaxys; Yoshida, Hisao; Fujimura, Yuki; Yuzawa, Hayato; Kumagai, Jun; Yoshida, Tomoko; Chemical Communications; vol. 49; nb. 36; (2013); p. 3793 - 3795, View in Reaxys
8b
Medrasi, Hanadi Y.; Al-Sheikh, Mariam Abdullah; Salaheldin, Abdellatif Mohamed; Molecules; vol. 18; nb. 1; (2013); p. 535 - 544, View in Reaxys
1p
Ramadhar, Timothy R.; Bansagi, Jazmin; Batey, Robert A.; Journal of Organic Chemistry; vol. 78; nb. 3; (2013); p. 1216 - 1221, View in Reaxys; Vernekar, Amit A.; Patil, Sagar; Bhat, Chinmay; Tilve, Santosh G.; RSC Advances; vol. 3; nb. 32; (2013); p. 13243 - 13250, View in Reaxys
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36
Brokl, Michal; Fauconnier, Marie-Laure; Benini, Celine; Lognay, Georges; Du Jardin, Patrick; Focant, Jean-Francois; Molecules; vol. 18; nb. 2; (2013); p. 1783 - 1797, View in Reaxys
4h
Rai, Ankita; Yadav, Lal Dhar S.; European Journal of Organic Chemistry; nb. 10; (2013); p. 1889 - 1893, View in Reaxys
3s
Huang, Bo; Tian, Haiwen; Lin, Shoushuai; Xie, Meihua; Yu, Xiaochun; Xu, Qing; Tetrahedron Letters; vol. 54; nb. 22; (2013); p. 2861 - 2864, View in Reaxys
10
Yang, Ha Yun; Tae, Jinsung; Seo, Yong Wan; Kim, Yoon Jung; Im, Hye Yeon; Choi, Gil Don; Cho, Heeyeong; Park, Woo-Kyu; Kwon, Oh Seung; Cho, Yong Seo; Ko, Minkyung; Jang, Hyunseo; Lee, Jaeick; Choi, Kihang; Kim, Chan-Hwa; Lee, Jiyoun; Pae, Ae Nim; European Journal of Medicinal Chemistry; vol. 63; (2013); p. 558 - 569, View in Reaxys
2k
Siddiqui, Zeba N.; Khan, Tabassum; Catalysis Science and Technology; vol. 3; nb. 8; (2013); p. 2032 - 2043, View in Reaxys
13
Oi, Norihito; Suzuki, Michiyuki; Terauchi, Taro; Tokunaga, Masaki; Nakatani, Yosuke; Yamamoto, Noboru; Fukumura, Toshimitsu; Zhang, Ming-Rong; Suhara, Tetsuya; Higuchi, Makoto; Journal of Medicinal Chemistry; vol. 56; nb. 16; (2013); p. 6371 - 6385, View in Reaxys
1k
Patil, Dipak R.; Wagh, Yogesh B.; Ingole, Pravin G.; Singh, Kripal; Dalal, Dipak S.; New Journal of Chemistry; vol. 37; nb. 10; (2013); p. 3261 - 3266, View in Reaxys
3'
Nasseri, Mohammad Ali; Sadeghzadeh, Seyed Mohsen; Journal of the Iranian Chemical Society; vol. 10; nb. 5; (2013); p. 1047 - 1056, View in Reaxys; Nasseri, Mohammad Ali; Sadeghzadeh, Seyed Mohsen; Monatshefte fur Chemie; vol. 144; nb. 10; (2013); p. 1551 - 1558, View in Reaxys
45
Taliani, Sabrina; Pugliesi, Isabella; Barresi, Elisabetta; Salerno, Silvia; Marchand, Christophe; Agama, Keli; Simorini, Francesca; La Motta, Concettina; Marini, Anna Maria; Di Leva, Francesco Saverio; Marinelli, Luciana; Cosconati, Sandro; Novellino, Ettore; Pommier, Yves; Di Santo, Roberto; Da Settimo, Federico; Journal of Medicinal Chemistry; vol. 56; nb. 18; (2013); p. 7458 - 7462, View in Reaxys
7
Chaudhry, Faryal; Asif, Nadia; Khan, Muhammad Naeem; Ribeiro, Jorge; Ather, Abdul Qayyum; Hina, Sajila; Munawar, Munawar Ali; Nasrullah, Muhammad; Ain, Qura Tul; Suhail, Farah; Khan, Misbahul Ain; Asian Journal of Chemistry; vol. 25; nb. 14; (2013); p. 7879 - 7882, View in Reaxys
2a; PhCH&2%CN Zhang, Chao; Liu, Chunmei; Shao, Ying; Bao, Xiaoguang; Wan, Xiaobing; Chemistry - A European Journal; vol. 19; nb. 52; (2013); p. 17917 - 17925, View in Reaxys 4k
Khan, Taukeer Ahmad; Peruncheralathan, Saravanan; Ila, Hiriyakkanavar; Junjappa, Hiriyakkanavar; Synlett; nb. 11; (2004); p. 2019 - 2021, View in Reaxys; Sengupta, Ritobroto; Weinreb, Steven M.; Synthesis (Germany); vol. 44; nb. 18; (2012); p. 2933 - 2937, View in Reaxys
2b
Bose, D. Subhas; Jayalakshmi; Journal of Organic Chemistry; vol. 64; nb. 5; (1999); p. 1713 - 1714, View in Reaxys; Tandel, Sagun; Wang, Anlai; Zhang, Hongming; Yousuf, Pervaiz; Biehl, Edward R.; Journal of the Chemical Society, Perkin Transactions 1; nb. 18; (2000); p. 3149 - 3153, View in Reaxys; Nandi, Sukumar; Syam Kumar; Ila, Hiriyakkanavar; Junjappa, Hiriyakkanavar; Journal of Organic Chemistry; vol. 67; nb. 14; (2002); p. 4916 - 4923, View in Reaxys; Okimoto, Mitsuhiro; Takahashi, Yukio; Bulletin of the Chemical Society of Japan; vol. 76; nb. 2; (2003); p. 427 - 428, View in Reaxys; Su, Weike; Cai, Hongfei; Yang, Bibo; Journal of Chemical Research; nb. 1; (2004); p. 87 - 88, View in Reaxys; Song, Ren-Jie; Wu, JiCheng; Liu, Yu; Deng, Guo-Bo; Wu, Cui-Yan; Wei, Wen-Ting; Li, Jin-Heng; Synlett; vol. 23; nb. 17; (2012); p. 2491 - 2496,6, View in Reaxys
2c
Singh, Harjit; Dolly; Chimni, Swapandeep Singh; Kumar, Subodh; Journal of Chemical Research, Miniprint; nb. 9; (1998); p. 2175 - 2185, View in Reaxys; Perosa, Alvise; Selva, Maurizio; Tundo, Pietro; Journal of the Chemical Society, Perkin Transactions 2; nb. 5; (2002); p. 1033 - 1037, View in Reaxys; Natekar; Samant; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 41; nb. 1; (2002); p. 187 - 190, View in Reaxys; Venkat Narsaiah; Sreenu; Nagaiah; Synthetic Communications; vol. 36; nb. 2; (2006); p. 137 - 140, View in Reaxys; Peng, Weimin; Zhao, Jingwei; Zhu, Shizheng; Synthesis; nb. 9; (2006); p. 1470 - 1474, View in Reaxys; Huang, Liping; Liu, Yang; Xie, Fuchun; Hu, Youhong; Organic Letters; vol. 14; nb. 24; (2012); p. 6122 - 6125, View in Reaxys
9
Tacke, Reinhold; Kornek, Thomas; Heinrich, Tilman; Burschka, Christian; Penka, Martin; Puelm, Melanie; Keim, Christine; Mutschler, Ernst; Lambrecht, Guenter; Journal of Organometallic Chemistry; vol. 640; nb. 1-2; (2001); p. 140 - 165, View in Reaxys; Jonczyk; Gadaj; Polish Journal of Chemistry; vol. 81; nb. 9; (2007); p. 1595 - 1610, View in Reaxys; Bobrov, Denis N.; Kim, Keunho; Cha, Jin Kun; Tetrahedron Letters; vol. 49; nb. 26; (2008); p. 4089 - 4091, View in Reaxys; Sanaboina, Chakrapani; Jana, Samaresh; Chidara, Sridhar; Patro, Balaram; Raolji, Gajendrasinh Balvantsinh; Eppakayala, Laxminarayana; Tetrahedron Letters; vol. 53; nb. 37; (2012); p. 5027 - 5029,3, View in Reaxys
Formula-2
Patent; MSN LABORATORIES LIMITED; THIRUMALAI RAJAN, Srinivasan; ESWARAIAH, Sajja; SATYANARAYANA, Revu; WO2012/46247; (2012); (A2) English, View in Reaxys
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G1-f
Yamakoshi, Hiroyuki; Dodo, Kosuke; Palonpon, Almar; Ando, Jun; Fujita, Katsumasa; Kawata, Satoshi; Sodeoka, Mikiko; Journal of the American Chemical Society; vol. 134; nb. 51; (2012); p. 20681 - 20689, View in Reaxys
1f; 4f
Chun, Yu Sung; Kim, Ju Hyun; Choi, Suh Young; Ko, Young Ok; Lee, Sang-Gi; Organic Letters; vol. 14; nb. 24; (2012); p. 6358 - 6361, View in Reaxys
9, Ar1=Ph
Daniels, R. Nathan; Kim, Kwangho; Lebois, Evan P.; Muchalski, Hubert; Hughes, Mary; Lindsley, Craig W.; Tetrahedron Letters; vol. 49; nb. 2; (2008); p. 305 - 310, View in Reaxys
17d
Hastings, Jedidiah M.; Hadden, M. Kyle; Blagg, Brian S. J.; Journal of Organic Chemistry; vol. 73; nb. 2; (2008); p. 369 - 373, View in Reaxys
Table 1. Entry 2.
Telvekar, Vikas N.; Patel, Kavit N.; Kundaikar, Harish S.; Chaudhari, Hemchandra K.; Tetrahedron Letters; vol. 49; nb. 14; (2008); p. 2213 - 2215, View in Reaxys
13b
Fleming, Fraser F.; Liu, Wang; Ghosh, Somraj; Steward, Omar W.; Journal of Organic Chemistry; vol. 73; nb. 7; (2008); p. 2803 - 2810, View in Reaxys
6e
Bencivenni, Giorgio; Lanza, Tommaso; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Spagnolo, Piero; Zanardi, Giuseppe; Journal of Organic Chemistry; vol. 73; nb. 12; (2008); p. 4721 - 4724, View in Reaxys
PhCH2CN
Suryanarayanan, V.; Noel, M.; Journal of Fluorine Chemistry; vol. 92; nb. 2; (1998); p. 177 - 180, View in Reaxys; Yamamoto, Yoshihiko; Matsumi, Daisuke; Hattori, Reiko; Itoh, Kenji; Journal of Organic Chemistry; vol. 64; nb. 9; (1999); p. 3224 - 3229, View in Reaxys; Suryanarayanan; Noel; Journal of Fluorine Chemistry; vol. 91; nb. 2; (1998); p. 153 - 157, View in Reaxys; Liu, Xianjun; Zou, Jianping; Fan, Yubo; Wang, Quanrui; Synthesis; nb. 8; (1999); p. 1313 - 1318, View in Reaxys; Xu, ChengZhi; Mao, XiangJun; Shen, HongBo; Chen, WenQuiang; Organic Preparations and Procedures International; vol. 23; nb. 2; (1991); p. 153 - 156, View in Reaxys; Liu, Xianjun; Wang, Quanrui; Liu, Yi; Fan, Yubo; Ding, Zongbiao; Synthesis; nb. 3; (2000); p. 435 - 441, View in Reaxys; Salem, Mounir A. I.; Madkour, Hassan M. F.; Soliman, El-Sayed A.; Mahmoud, Naglaa F. H.; Heterocycles; vol. 53; nb. 5; (2000); p. 1129 - 1143, View in Reaxys; Thompson, Andrew M.; Showalter, H.D. Hollis; Denny, William A.; Journal of the Chemical Society, Perkin Transactions 1; nb. 12; (2000); p. 1843 - 1852, View in Reaxys; Bakunov, Stanislav A.; Rukavishnikov, Alexey V.; Tkachev, Alexey V.; Synthesis; nb. 8; (2000); p. 1148 - 1159, View in Reaxys; Lorga, Bogdan; Ricard, Louis; Savignac, Philippe; Journal of the Chemical Society, Perkin Transactions 1; nb. 19; (2000); p. 3311 - 3316, View in Reaxys; Wheeler; West; Liotta; Eckert; Chemical Communications; nb. 10; (2001); p. 887 - 888, View in Reaxys; Klavins, Maris; Dipane, Judite; Babre, Kristine; Chemosphere; vol. 44; nb. 4; (2001); p. 737 - 742, View in Reaxys; Viteva, Lilia; Gospodova, Tzveta; Stefanovski, Yuri; Mazieres, Marie-Rose; Wolf, Jean Gerard; Tetrahedron Letters; vol. 42; nb. 45; (2001); p. 7945 - 7948, View in Reaxys; Bak, Radoslaw R.; Smallridge, Andrew J.; Tetrahedron Letters; vol. 42; nb. 38; (2001); p. 6767 - 6769, View in Reaxys; Gromachevskaya; Krapivin; Kvitkovskii; Shein; Kul'nevich; Chemistry of Heterocyclic Compounds; vol. 37; nb. 5; (2001); p. 588 - 596, View in Reaxys; Xu, Fan; Sun, Jianhua; Shen, Qi; Tetrahedron Letters; vol. 43; nb. 10; (2002); p. 1867 - 1869, View in Reaxys; Kantlehner, Willi; Haug, Erwin; Stieglitz, Ruediger; Frey, Wolfgang; Kress, Ralf; Mezger, Jochen; Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences; vol. 57; nb. 4; (2002); p. 399 - 419, View in Reaxys; Liboska, Radek; Zyka, Daniel; Bobek, Miroslav; Synthesis; nb. 12; (2002); p. 1649 - 1651, View in Reaxys; Wang, Quanrui; Li, Zheng; Yang, Haiyan; Li, Feng; Ding, Zongbiao; Tao, Fenggang; Synthesis; nb. 8; (2003); p. 1231 - 1235, View in Reaxys; Suwinski; Swierczek; Wagner; Kubicki; Borowiak; Slowikowska; Journal of Heterocyclic Chemistry; vol. 40; nb. 3; (2003); p. 523 - 528, View in Reaxys; Huang, Xian; Chen, Wan-Li; Zhou, Hong-Wei; Synlett; nb. 2; (2004); p. 329 - 331, View in Reaxys; Araki, Shuki; Tanaka, Takashi; Toumatsu, Shinya; Hirashita, Tsunehisa; Organic and Biomolecular Chemistry; vol. 1; nb. 22; (2003); p. 4025 - 4029, View in Reaxys; Benfatti, Fides; Cardillo, Giuliana; Fabbroni, Serena; Gentilucci, Luca; Perciaccante, Rossana; Piccinelli, Fabio; Tolomelli, Alessandra; Synthesis; nb. 1; (2005); p. 61 - 70; Art.No: Z15104SS, View in Reaxys; Kozhevnikov, Dmitry N.; Kataeva, Natalia N.; Rusinov, Vladimir L.; Chupakhin, Oleg N.; Aleksandrov, Grigory G.; Mendeleev Communications; nb. 1; (2005); p. 31 - 33, View in Reaxys; Ghorai, Manas K.; Das, Kalpataru; Kumar, Amit; Das, Animesh; Tetrahedron Letters; vol. 47; nb. 30; (2006); p. 5393 - 5397, View in Reaxys; Hajra, Saumen; Sinha, Debarshi; Bhowmick, Manishabrata; Journal of Organic Chemistry; vol. 72; nb. 5; (2007); p. 1852 1855, View in Reaxys; Yadav; Reddy, B.V. Subba; Kumar, G.G.K.S. Narayana; Reddy, G. Madhusudhan; Tetrahedron Letters; vol. 48; nb. 28; (2007); p. 4903 - 4906, View in Reaxys; Li, Wei; Shi, Min; Journal of Organic Chemistry; vol. 73; nb. 11; (2008); p. 4151 - 4154, View in Reaxys
32a
Patent; F. HOFFMANN-LA ROCHE AG; WO2008/34731; (2008); (A1) English, View in Reaxys
10a
Lauria, Antonino; Abbate, Ilenia; Patella, Chiara; Gambino, Noemi; Silvestri, Arturo; Barone, Giampaolo; Almerico, Anna Maria; Tetrahedron Letters; vol. 49; nb. 35; (2008); p. 5125 - 5128, View in Reaxys
5, R2=H
Ali, Abdelselam; Bliese, Marianne; Rasmussen, Jo-Anne M.; Sargent, Roger M.; Saubern, Simon; Sawutz, David G.; Wilkie, John S.; Winkler, David A.; Winzenberg, Kevin N.; Woodgate, Ruth C.J.; Bioorganic and Medicinal Chemistry Letters; vol. 17; nb. 4; (2007); p. 993 - 997, View in Reaxys
2ii
Jagtap, Sachin R.; Bhanushali, Mayur J.; Nandurkar, Nitin S.; Bhanage, Bhalchandra M.; Synthetic Communications; vol. 37; nb. 13; (2007); p. 2253 - 2258, View in Reaxys
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Table 3, entry 6
Chidambaram, Mandan; Sonavane, Sachin U.; de la Zerda, Jaima; Sasson, Yoel; Tetrahedron; vol. 63; nb. 32; (2007); p. 7696 - 7701, View in Reaxys
1 (X=H)
Wang, Zhiyuan; Kang, Junhui; Yu, Mingxin; Journal of Chemical Research; nb. 6; (2007); p. 323 - 324, View in Reaxys
Product 2
Telvekar, Vikas N.; Rane, Rajesh A.; Tetrahedron Letters; vol. 48; nb. 34; (2007); p. 6051 - 6053, View in Reaxys
9a
DeGraffenreid, Michael R.; Bennett, Sarah; Caille, Sebastien; De Turiso, Felix Gonzalez-Lopez; Hungate, Randall W.; Julian, Lisa D.; Kaizerman, Jacob A.; McMinn, Dustin L.; Rew, Yosup; Sun, Daqing; Yan, Xuelei; Powers, Jay P.; Journal of Organic Chemistry; vol. 72; nb. 19; (2007); p. 7455 - 7458, View in Reaxys
Table 6, Entry 1
Soltani Rad, Mohammad Navid; Khalafi-Nezhad, Ali; Behrouz, Somayeh; Faghihi, Mohammad Ali; Tetrahedron Letters; vol. 48; nb. 38; (2007); p. 6779 - 6784, View in Reaxys
tab1, 3, entry9
Salama, Tarek A.; Elmorsy, Saad S.; Khalil, Abdel-Galel M.; Ismail, Mohamed A.; Tetrahedron Letters; vol. 48; nb. 35; (2007); p. 6199 - 6203, View in Reaxys
1b
Solhy, Abderrahim; Smahi, Abdellatif; El Badaoui, Hanane; Elaabar, Brahim; Amoukal, Abderrahim; Tikad, Abdellatif; Sebti, Said; Macquarrie; Tetrahedron Letters; vol. 44; nb. 21; (2003); p. 4031 - 4033, View in Reaxys; Caddick, Stephen; Judd, Duncan B.; Lewis, Alexandra K. De K.; Reich, Melanie T.; Williams, Meredith R. V.; Tetrahedron; vol. 59; nb. 29; (2003); p. 5417 - 5423, View in Reaxys; Elinson, Michail N.; Dorofeev, Alexander S.; Feducovich, Sergey K.; Belyakov, Pavel A.; Nikishin, Gennady I.; European Journal of Organic Chemistry; nb. 18; (2007); p. 3023 - 3027, View in Reaxys
4 (X=H)
Garbaccio, Robert M.; Huang, Shaei; Tasber, Edward S.; Fraley, Mark E.; Yan, Youwei; Munshi, Sanjeev; Ikuta, Mari; Kuo, Lawrence; Kreatsoulas, Constanine; Stirdivant, Steve; Drakas, Bob; Rickert, Keith; Walsh, Eileen S.; Hamilton, Kelly A.; Buser, Carolyn A.; Hardwick, James; Mao, Xianzhi; Beck, Stephen C.; Abrams, Marc T.; Tao, Weikang; Lobell, Rob; Sepp-Lorenzino, Laura; Hartman, George D.; Bioorganic and Medicinal Chemistry Letters; vol. 17; nb. 22; (2007); p. 6280 - 6285, View in Reaxys
2; R = Bn
Campbell, Jacqueline A.; McDougald, Graham; McNab, Hamish; Rees, Lovat V. C.; Tyas, Richard G.; Synthesis; nb. 20; (2007); p. 3179 - 3184, View in Reaxys
educt to 5a-b
Jachak, Madhukar N.; Avhale, Appasaheb B.; Toche, Ragunath B.; Sabnis, Ram W.; Journal of Heterocyclic Chemistry; vol. 44; nb. 2; (2007); p. 343 - 347, View in Reaxys
II
Orlov; Kotov; Rusakov; Bystryakova; Kopeikin; Mironov; Russian Journal of Organic Chemistry; vol. 34; nb. 4; (1998); p. 538 - 540, View in Reaxys; Ganzha; Kotov; Sokolov; Orlov; Russian Journal of Organic Chemistry; vol. 42; nb. 8; (2006); p. 1248 - 1249, View in Reaxys
I
Verevkin, Sergey P.; Journal of Chemical Thermodynamics; vol. 32; nb. 2; (2000); p. 207 - 215, View in Reaxys; Terpigorev; Shcherbinun; Tselinskii; Russian Journal of Organic Chemistry; vol. 35; nb. 11; (1999); p. 1629 - 1632, View in Reaxys; Martirosyan; Gasparyan; Oganesyan; Arutyunyan; Aleksanyan; Russian Journal of Organic Chemistry; vol. 42; nb. 12; (2006); p. 1786 - 1788, View in Reaxys
starting to 4c
Katritzky, Alan R.; Abdel-Fattah, Ashraf A. A.; Steel, Peter J.; Tetrahedron Letters; vol. 47; nb. 9; (2006); p. 1465 - 1467, View in Reaxys
VI
Shainyan; Danilevich; Russian Journal of Organic Chemistry; vol. 42; nb. 2; (2006); p. 214 - 219, View in Reaxys
14a
Lauria, Antonino; Patella, Chiara; Diana, Patrizia; Barraja, Paola; Montalbano, Alessandra; Cirrincione, Girolamo; Dattolo, Gaetano; Almerico, Anna Maria; Tetrahedron Letters; vol. 47; nb. 13; (2006); p. 2187 2190, View in Reaxys
15
Fan, Qiu-Hua; Ni, Nan-Ting; Li, Qin; Zhang, Li-He; Ye, Xin-Shan; Organic Letters; vol. 8; nb. 5; (2006); p. 1007 - 1009, View in Reaxys
48d
Koch, Uwe; Attenni, Barbara; Malancona, Savina; Colarusso, Stefania; Conte, Immacolata; Di Filippo, Marcello; Harper, Steven; Pacini, Barbara; Giomini, Claudia; Thomas, Steven; Incitti, Ilario; Tomei, Licia; De Francesco, Raffaele; Altamura, Sergio; Matassa, Victor G.; Narjes, Frank; Journal of Medicinal Chemistry; vol. 49; nb. 5; (2006); p. 1693 - 1705, View in Reaxys
R2CN, R2=C6H5CH2
Rao, K. Srinivasa; Reddy, D. Srinivasa; Pal, Manojit; Mukkanti; Iqbal, Javed; Tetrahedron Letters; vol. 47; nb. 26; (2006); p. 4385 - 4388, View in Reaxys
RCH2CN, R = Ph
Bourbeau, Matthew P.; Rider, James T.; Organic Letters; vol. 8; nb. 17; (2006); p. 3679 - 3680, View in Reaxys
4e
Xu, Feng; Murry, Jerry A.; Simmons, Bryon; Corley, Edward; Fitch, Kenneth; Karady, Sandor; Tschaen, David; Organic Letters; vol. 8; nb. 17; (2006); p. 3885 - 3888, View in Reaxys
Tab.3. Ent.13-15, R-CN
Takahashi, Tatsuya; Sugimoto, Osamu; Koshio, Jiro; Tanji, Ken-ichi; Heterocycles; vol. 68; nb. 9; (2006); p. 1973 - 1979, View in Reaxys
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tab. 1, entry 2
Mukherjee, Chandrani; Zhu, Dunming; Biehl, Edward R.; Hua, Ling; European Journal of Organic Chemistry; nb. 23; (2006); p. 5238 - 5242, View in Reaxys
4b
Lauria; Diana; Barraja; Almerico; Cirrincione; Dattolo; Journal of Heterocyclic Chemistry; vol. 37; nb. 4; (2000); p. 747 - 750, View in Reaxys; Connolly; Guiry; Synlett; nb. 11; (2001); p. 1707 - 1710, View in Reaxys; Mecozzi, Tiziana; Petrini, Marino; Profeta, Roberto; Journal of Organic Chemistry; vol. 66; nb. 24; (2001); p. 8264 - 8267, View in Reaxys; Ji, Yaohui; Trenkle, William C.; Vowles, James V.; Organic Letters; vol. 8; nb. 6; (2006); p. 1161 - 1163, View in Reaxys
10c
Katritzky, Alan R.; Idzik, Krzysztof R.; Abdel-Fattah, Ashraf A. A.; Soloducho, Jadwiga; Steel, Peter J.; Synthesis; nb. 20; (2006); p. 3377 - 3388, View in Reaxys
3d
Park, Yong-Dae; Kim, Jeum-Jong; Cho, Su-Dong; Lee, Sang-Gyeong; Falck, J. Russell; Yoon, YongJin; Synthesis; nb. 7; (2005); p. 1136 - 1140; Art.No: F15604SS, View in Reaxys; Jeganmohan, Masilamani; Cheng, Chien-Hong; Chemical Communications; nb. 23; (2006); p. 2454 - 2456, View in Reaxys
substrate, tab 4/1-3
Yadav, Veejendra K.; Babu, K. Ganesh; European Journal of Organic Chemistry; nb. 2; (2005); p. 452 - 456, View in Reaxys
Tab.3.run7
Biondini, Daniele; Brinchi, Lucia; Germani, Raimondo; Goracci, Laura; Savelli, Gianfranco; European Journal of Organic Chemistry; nb. 14; (2005); p. 3060 - 3063, View in Reaxys
nitrile, entry 6
Motokura, Ken; Fujita, Noriaki; Mori, Kohsuke; Mizugaki, Tomoo; Ebitani, Kohki; Kaneda, Kiyotomi; Tetrahedron Letters; vol. 46; nb. 33; (2005); p. 5507 - 5510, View in Reaxys
4, R1 = Ph, R2 = H Katritzky, Alan R.; Abdel-Fattah, Ashraf A. A.; Vakulenko, Anatoliy V.; Tao, Hui; Journal of Organic Chemistry; vol. 70; nb. 23; (2005); p. 9191 - 9197, View in Reaxys Table 2, entry 6
Choudary, Boyapati M.; Kantam, Mannepalli L.; Ranganath, Kalluri V. S.; Rao, Kottapalli K.; Angewandte Chemie - International Edition; vol. 44; nb. 2; (2005); p. 322 - 325, View in Reaxys
substrate, suppl. 4/1
Ye, Weiping; Xu, Junye; Tan, Chin-Tong; Tan, Choon-Hong; Tetrahedron Letters; vol. 46; nb. 40; (2005); p. 6875 - 6878, View in Reaxys
C6H5CH2CN
Wang, Anlai; Biehl, Edward R.; Heterocycles; vol. 45; nb. 10; (1997); p. 1929 - 1935, View in Reaxys; Walczynski; Timmerman; Zuiderveld; Zhang; Glinka; Farmaco; vol. 54; nb. 8; (1999); p. 533 - 541, View in Reaxys; Bose, D. Subhas; Kumar, K. Kiran; Synthetic Communications; vol. 30; nb. 16; (2000); p. 3047 - 3052, View in Reaxys; Shimizu; Suzuki; Sasaki; Hirai; Synlett; nb. 11; (2000); p. 1664 - 1666, View in Reaxys; Cregge, Robert J.; Farr, Robert A.; Friedrich, Dirk; Hulshof, Jos; Janowick, David A.; Meikrantz, Scott; Metz, William A.; Tetrahedron Letters; vol. 42; nb. 8; (2001); p. 1407 - 1409, View in Reaxys; Schweizer; Lohse; Otter; Hindsgaul; Synlett; nb. 9; (2001); p. 1434 - 1436, View in Reaxys; Prasad, Mailavaram Raghu; Rao, Akkinepalli Raghu Ram; Rao, Pamulaparthi Shanthan; Rajan, Kombu Subramanian; Synthesis; nb. 14; (2001); p. 2119 - 2123, View in Reaxys; Golovlyova; Moskvichev; Alov; Kobylinsky; Ermolaeva; Chemistry of Heterocyclic Compounds; vol. 37; nb. 9; (2001); p. 1102 - 1106, View in Reaxys; Chen, Wanli; Huang, Xian; Zhou, Hongwei; Synthesis; nb. 10; (2004); p. 1573 - 1576, View in Reaxys
9, X=H
Chen, Chen; Wilcoxen, Keith M.; Huang, Charles Q.; McCarthy, James R.; Chen, Takung; Grigoriadis, Dimitri E.; Bioorganic and Medicinal Chemistry Letters; vol. 14; nb. 14; (2004); p. 3669 - 3673, View in Reaxys
Table I, entry 7
Akhlaghinia, Batool; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 179; nb. 9; (2004); p. 1783 - 1786, View in Reaxys
Ar'CH2Y, Tab.1, entry 1
Wrobel, Zbigniew; Synlett; nb. 11; (2004); p. 1929 - 1932, View in Reaxys
tab1, product
Mukaiyama, Teruaki; Masutani, Kouta; Hagiwara, Yoshiaki; Chemistry Letters; vol. 33; nb. 9; (2004); p. 1192 - 1193, View in Reaxys
T. 3-6, nucleophile Leitner, Andreas; Larsen, Jens; Steffens, Christian; Hartwig, John F.; Journal of Organic Chemistry; vol. 69; nb. 22; (2004); p. 7552 - 7557, View in Reaxys 7c
Compton, Dennis R.; Sheng, Shubin; Carlson, Kathryn E.; Rebacz, Natalie A.; Lee, In Young; Katzenellenbogen, Benita S.; Katzenellenbogen, John A.; Journal of Medicinal Chemistry; vol. 47; nb. 24; (2004); p. 5872 - 5893, View in Reaxys
R-CN, R=Bn
Prasad, B. A. Bhanu; Bisai, Alakesh; Singh, Vinod K.; Organic Letters; vol. 6; nb. 26; (2004); p. 4829 - 4831, View in Reaxys
Nit
Freuze, Ingrid; Brosillon, Stephan; Herman, Dorine; Laplanche, Alain; Democrate, Christian; Cavard, Jacques; Environmental Science and Technology; vol. 38; nb. 15; (2004); p. 4134 - 4139, View in Reaxys
PhACN
Cheng; Hashimoto; Uda; Food and Chemical Toxicology; vol. 42; nb. 3; (2004); p. 351 - 357, View in Reaxys
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phenylacetonitrile
Motokura, Ken; Mizugaki, Tomoo; Ebitani, Kohki; Kaneda, Kiyotomi; Tetrahedron Letters; vol. 45; nb. 31; (2004); p. 6029 - 6032, View in Reaxys
as 9 for 15b
Yamashita, Makoto; Ono, Yujirou; Tawada, Hiroyuki; Tetrahedron; vol. 60; nb. 12; (2004); p. 2843 - 2849, View in Reaxys
educt to 6b
Viteva, Lilia; Gospodova, Tzveta; Stefanovsky, Yuri; Petrova, Krasimira; Timtcheva, Iliana; Mazieres, Marie-Rose; Wolf, Jean-Gerard; European Journal of Organic Chemistry; nb. 2; (2004); p. 385 - 394, View in Reaxys
Tab. 2, entry 15
Venkat Narsaiah; Nagaiah; Advanced Synthesis and Catalysis; vol. 346; nb. 11; (2004); p. 1271 - 1274, View in Reaxys
nitrile, tab. 1/5
Prasad, B.A. Bhanu; Pandey, Ghanshyam; Singh, Vinod K.; Tetrahedron Letters; vol. 45; nb. 6; (2004); p. 1137 - 1141, View in Reaxys
phenyl-CH2CN
Yeh, Hsiu-Chih; Wu, Wei-Ching; Chen, Chin-Ti; Chemical Communications; nb. 3; (2003); p. 404 - 405, View in Reaxys
2, Ar=Ph
Villemin, Didier; Liao, Liang; Synthetic Communications; vol. 33; nb. 9; (2003); p. 1575 - 1585, View in Reaxys
65
Liu, Xiangli; Bouchard, Geraldine; Mueller, Nathalie; Galland, Alexandra; Girault, Hubert; Testa, Bernard; Carrupt, Pierre-Alain; Helvetica Chimica Acta; vol. 86; nb. 11; (2003); p. 3533 - 3547, View in Reaxys
8e
Lauria, Antonino; Patella, Chiara; Diana, Patrizia; Barraja, Paola; Montalbano, Alessandra; Cirrincione, Girolamo; Dattolo, Gaetano; Almerico, Anna Maria; Heterocycles; vol. 60; nb. 12; (2003); p. 2669 - 2675, View in Reaxys
tab. 1, entry 14
Mashraqui, Sabir H.; Karnik, Madhavi A.; Chemistry Letters; vol. 32; nb. 11; (2003); p. 1064 - 1065, View in Reaxys
3c
Curran, Dennis P.; Hadida, Sabine; Kim, Sun-Young; Tetrahedron; vol. 55; nb. 29; (1999); p. 8997 - 9006, View in Reaxys; Font-Sanchis, Enrique; Aliaga, Carolina; Focsaneanu; Scaiano; Chemical Communications; nb. 15; (2002); p. 1576 - 1577, View in Reaxys
22c
Rose, Jerry D.; Maddry, Joseph A.; Comber, Robert N.; Suling, William J.; Wilson, Larry N.; Reynolds, Robert C.; Carbohydrate Research; vol. 337; nb. 2; (2002); p. 105 - 120, View in Reaxys
t.2, pr., entry 2
Iranpoor; Firouzabadi; Aghapour; Synthetic Communications; vol. 32; nb. 16; (2002); p. 2535 - 2541, View in Reaxys
18c
Batsila, Christina; Kostakis, George; Hadjiarapoglou, Lazaros P; Tetrahedron Letters; vol. 43; nb. 34; (2002); p. 5997 - 6000, View in Reaxys
49
Van Stee; Leonards; Van Loon; Jan Hendriks; Struijs; Brinkman; Maas; Water Research; vol. 36; nb. 18; (2002); p. 4455 - 4470, View in Reaxys
Tab.2, entry 6
Shoichi, Shimizu; Suzuki, Takashi; Shirakawa, Seiji; Sasaki, Yasuyuki; Hirai, Choichiro; Advanced Synthesis and Catalysis; vol. 344; nb. 3-4; (2002); p. 370 - 378, View in Reaxys
1, R1=R2=R4=R3= H
Tarnchompoo, Bongkoch; Sirichaiwat, Chawanee; Phupong, Worrapong; Intaraudom, Chakapong; Sirawaraporn, Worachart; Kamchonwongpaisan, Sumalee; Vanichtanankul, Jarunee; Thebtaranonth, Yodhathai; Yuthavong, Yongyuth; Journal of Medicinal Chemistry; vol. 45; nb. 6; (2002); p. 1244 - 1252, View in Reaxys
24
Detert, Heiner; Schollmeyer, Dieter; Sugiono, Erli; European Journal of Organic Chemistry; nb. 15; (2001); p. 2927 - 2938, View in Reaxys; Greshock, Thomas J.; Funk, Raymond L.; Journal of the American Chemical Society; vol. 124; nb. 5; (2002); p. 754 - 755, View in Reaxys
5c
Wang, Yanli; Zhu, Shizheng; Journal of Fluorine Chemistry; vol. 103; nb. 2; (2000); p. 139 - 144, View in Reaxys; Itoh; Tanaka; Ohta; Takeshiba; Chemical and Pharmaceutical Bulletin; vol. 49; nb. 7; (2001); p. 909 - 911, View in Reaxys
6b
Oecal, Nueket; Erden, Ihsan; Tetrahedron Letters; vol. 42; nb. 29; (2001); p. 4765 - 4767, View in Reaxys
g
Cao; Chen; Pei; Synthetic Communications; vol. 31; nb. 14; (2001); p. 2203 - 2207, View in Reaxys
2, R2: PhCH2
Su; Li; Zhang; Journal of Chemical Research - Part S; nb. 1; (2001); p. 32 - 33, View in Reaxys
PhCH2-CN
Stavber; Kralj; Zupan; Synlett; nb. 7; (2001); p. 1152 - 1154, View in Reaxys
1, R=PhCH2
Kaminski; Glass; Skowronska; Synthesis; nb. 9; (2001); p. 1308 - 1310, View in Reaxys
RCH2CN, R=Ph
Gao, Yang; Wang, Hui; Xu, Minghua; Lian, Hongzhen; Pan, Yi; Shi, Yaozeng; Organic Preparations and Procedures International; vol. 33; nb. 4; (2001); p. 351 - 356, View in Reaxys
7, R4=Ph
Pyun; Jeong; Jung; Kim; Lee; Synlett; nb. 12; (2001); p. 1950 - 1952, View in Reaxys
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Sub., Table, run 24
Takamizawa; Wakasa; Fuchikami; Synlett; nb. 10; (2001); p. 1623 - 1625, View in Reaxys
t.1, product 4
Bose; Varadarajan; Vanajatha; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 40; nb. 8; (2001); p. 722 - 723, View in Reaxys
8, X=H
Ludovici, Donald W.; Kukla, Michael J.; Grous, Philip G.; Krishnan, Suma; Andries, Koen; De Bethune, Marie-Pierre; Azijn, Hilde; Pauwels, Rudi; De Clercq, Erik; Arnold, Edward; Janssen, Paul A.J.; Bioorganic and Medicinal Chemistry Letters; vol. 11; nb. 17; (2001); p. 2225 - 2228, View in Reaxys
Table II, entry 23
Chakraborti; Kaur; Roy; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 40; nb. 10; (2001); p. 1000 - 1006, View in Reaxys
IId
Glushkov; Ausheva; Anikina; Vikharev; Safin; Shklyaev; Pharmaceutical Chemistry Journal; vol. 35; nb. 7; (2001); p. 358 - 363, View in Reaxys
PAN
Xie; Kato; Asano; Bioscience, biotechnology, and biochemistry; vol. 65; nb. 12; (2001); p. 2666 - 2672, View in Reaxys
2 R=C6H5CH2
Zhong; Zhang; Chen; Journal of the Indian Chemical Society; vol. 78; nb. 6; (2001); p. 316 - 318, View in Reaxys
C6H5CH2CN (Scheme 3b)
Nabil Aboul-Enein; El-Azzounya; Maklad; Attia; Wiese; Scientia Pharmaceutica; vol. 69; nb. 4; (2001); p. 329 - 350, View in Reaxys
37
Jarikov; Neckers; Journal of Organic Chemistry; vol. 66; nb. 3; (2001); p. 659 - 671, View in Reaxys
11
Clark, Adrian D.; Ha, Uyen T.; Prager, Rolf H.; Smith, Jason A.; Australian Journal of Chemistry; vol. 52; nb. 11; (1999); p. 1029 - 1033, View in Reaxys; Moyano; Yranzo; Journal of Organic Chemistry; vol. 66; nb. 9; (2001); p. 2943 - 2947, View in Reaxys
BzCN
Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys; Moloney, Gerard P.; Martin, Graeme R.; Mathews, Neil; MacLennan, Steve; Dodsworth, Susan; Sang, Pang Yih; Knight, Cameron; Maxwell, Miles; Glen, Robert C.; Journal of the Chemical Society - Perkin Transactions 1; nb. 19; (1999); p. 2725 - 2733, View in Reaxys; Ito, Yoshikatsu; Nakabayashi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p. 7139 7152, View in Reaxys
Table 1, RCN, rows 9-10
Merchant, Kevin J.; Tetrahedron Letters; vol. 41; nb. 19; (2000); p. 3747 - 3749, View in Reaxys
Ph-CN
Lee, Yong Rok; Suk, Jung Yup; Tetrahedron Letters; vol. 41; nb. 24; (2000); p. 4795 - 4799, View in Reaxys
2, R = CH2C6H5
Zhou, Longhu; Zhang, Yongmin; Tetrahedron; vol. 56; nb. 19; (2000); p. 2953 - 2960, View in Reaxys
Tab., nitrile, entry 3
Murahashi, Shun-Ichi; Take, Kazuhiko; Naota, Takeshi; Takaya, Hikaru; Synlett; nb. 7; (2000); p. 1016 1018, View in Reaxys
18
Koradin; Rodriguez; Knochel; Synlett; nb. 10; (2000); p. 1452 - 1454, View in Reaxys
1n
Anastassiadou; Baziard-Mouysset; Payard; Synthesis; nb. 13; (2000); p. 1814 - 1816, View in Reaxys
Subst.,Tab.1/2, run 8/6
Lee; Lin; Tetrahedron Letters; vol. 41; nb. 45; (2000); p. 8803 - 8806, View in Reaxys
6c
Gogonas; Hadjiarapoglou; Tetrahedron Letters; vol. 41; nb. 48; (2000); p. 9299 - 9303, View in Reaxys
educt to interm of 9
Sbardella, Gianluca; Mai, Antonello; Artico, Marino; Massa, Silvio; Marceddu, Tiziana; Vargiu, Laura; Marongiu, Maria Elena; La Colla, Paolo; Medicinal Chemistry Research; vol. 10; nb. 1; (2000); p. 30 - 39, View in Reaxys
C6H5-CH2CN
Larsen, Janus S.; Christensen, Lene; Ludvig, Gitte; Jorgensen, Per T.; Pedersen, Erik B.; Nielsen, Claus; Journal of the Chemical Society, Perkin Transactions 1; nb. 18; (2000); p. 3035 - 3038, View in Reaxys
1J
Boyd, Derek R.; Sharma, Narain D.; Bowers, Nigel I.; Duffy, John; Harrison, John S.; Dalton, Howard; Journal of the Chemical Society, Perkin Transactions 1; nb. 9; (2000); p. 1345 - 1350, View in Reaxys
2, R2=H
Kayaleh, Nadim E.; Gupta, Ramesh C.; Johnson, Francis; Journal of Organic Chemistry; vol. 65; nb. 15; (2000); p. 4515 - 4522, View in Reaxys
2m/2n
Park, Leeyoung; Keum, Gyochang; Kang, Soon Bang; Kim, Kwan Soo; Kim, Youseung; Journal of the Chemical Society, Perkin Transactions 1; nb. 24; (2000); p. 4462 - 4463, View in Reaxys
tab. 1,entry 4, product
Subhas Bose; Ravinder Goud; Tetrahedron Letters; vol. 40; nb. 4; (1999); p. 747 - 748, View in Reaxys
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3a,b
Soli, Eric D.; Manoso, Amy S.; Patterson, Michael C.; DeShong, Philip; Favor, David A.; Hirschmann, Ralph; Smith III, Amos B.; Journal of Organic Chemistry; vol. 64; nb. 9; (1999); p. 3171 - 3177, View in Reaxys
2, R4'=H
Mhiri; Ladhar; El Gharbi; Le Bigot; Synthetic Communications; vol. 29; nb. 9; (1999); p. 1451 - 1461, View in Reaxys
2, A = Ph
Mhiri; El Gharbi; Le Bigot; Synthetic Communications; vol. 29; nb. 19; (1999); p. 3385 - 3399, View in Reaxys
14
Basaveswara Rao; Syam Kumar; Ila; Junjappa; Tetrahedron; vol. 55; nb. 38; (1999); p. 11563 - 11578, View in Reaxys
product 5
Bose, D. Subhas; Sunder, K. Sugnana; Synthetic Communications; vol. 29; nb. 23; (1999); p. 4235 - 4239, View in Reaxys
22
Chakraborti, Asit K.; Kaur, Gurmeet; Tetrahedron; vol. 55; nb. 46; (1999); p. 13265 - 13268, View in Reaxys
substrate (entry 8) Mansour Lakouraj; Bahrami; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 38; nb. 8; (1999); p. 974 - 975, View in Reaxys product,table 3,entry21
Daasbjerg, Kim; Knudsen, Stig R.; Sonnichsen, Katrine N.; Andrade, Adalgisa R.; Pedersen, Steen U.; Acta Chemica Scandinavica; vol. 53; nb. 10; (1999); p. 938 - 948, View in Reaxys
V
El'tsov; Sokolova; Dmitrieva; Grigor'ev; Ivanov; Russian Journal of General Chemistry; vol. 69; nb. 8; (1999); p. 1317 - 1320, View in Reaxys
subs., Tab. 1, entry 10
Varma, Rajender S.; Naicker, Kannan P.; Organic Letters; vol. 1; nb. 2; (1999); p. 189 - 191, View in Reaxys
21
Satoh, Tetsuya; Inoh, Jun-Ichi; Kawamura, Yoshiki; Kawamura, Yuichiro; Miura, Masahiro; Nomura, Masakatsu; Bulletin of the Chemical Society of Japan; vol. 71; nb. 9; (1998); p. 2239 - 2246, View in Reaxys
RCN (run 6,8,14)
Luo, Fen-Tair; Jeevanandam, Arumugasamy; Tetrahedron Letters; vol. 39; nb. 51; (1998); p. 9455 - 9456, View in Reaxys
RCN R=C6H5CH2
Ishihara, Hideharu; Yosimura, Katsuhiro; Kouketsu, Mamoru; Chemistry Letters; nb. 12; (1998); p. 1287 1288, View in Reaxys
5, PA
Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys
Patent-Specific Data (7) Prophetic ComLocation in Patent References pound Page/Page column
prophetic product
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Patent; SMITHKLINE BEECHAM CORPORATION; WO2008/70707; (2008); (A1) English, View in Reaxys Patent; Meudt, Andreas; Nerdinger, Sven; Lehnemann, Bernd Wilhelm; Vogel, Till; Snieckus, Victor; US2008/221350; (2008); (A1) English, View in Reaxys Patent; Pfizer Inc.; US6407120; (2002); (B1) English, View in Reaxys Patent; WARNER-LAMBERT COMPANY; EP1203767; (2002); (A1) English, View in Reaxys prophetic product
Claim
Patent; Emery Industries, Inc.; US4328168; (1982); (A1) English, View in Reaxys; Patent; Emery Industries, Inc.; US4328169; (1982); (A1) English, View in Reaxys
Related Structure (1) Related Structure References The author inves- Binev, I. G.; Tsenov, J. A.; Velcheva, E. A.; Juchnovski, I. N.; Journal of Molecular Structure; vol. 344; (1995); tigated the config- p. 205 - 216, View in Reaxys uration Derivative (20) Comment (Deriva- Derivative tive) Li-Salz (2a): Rk. mit /BRN= 280477/, /BRN= 560601/, u. /BRN= 280721/ in THF / HMPT (jeweils t(1/2)
References
2-oxo-3-pheDeschamps et al.; Tetrahedron Letters; (1979); p. 1377,1379, View in Reaxys nyl-2,3-dihydrobenzofuran-4-carboxylic acid ethyl ester; hydroxy-[1(4-methoxy-phenyl)-1,4,5,6-tetrahydro-cyclopentapyrazol-3-yl]-acetic acid; 3-[2]furyl-5-methyl-2phenyl-hexanoic acid ethyl ester
Cs-Salz: k, Η(Diss), ΔS(Diss)
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Li-Salz: k, Η(Diss), ΔS(Diss)
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Komplex mit Phenol: Dipolmoment
Gramstad; Tjessem; Journal of Molecular Structure; vol. 41; (1977); p. 231,233, 235, 236, View in Reaxys
Na-Salz; aus Phenylacetonitril, Dimsyl-Na; und weitere o-, p-, mPhenylacetonitrile; IR
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Komplex mit (NC)2C=C(CN)2: UV (Tab. 2)
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Albagnac et al.; Bulletin de la Societe Chimique de France; (1974); p. 1469,1470, View in Reaxys
BF3-Addukt: 11B-, 19F-NMR
Fluck; Steck; Phosphorus and Sulfur and the Related Elements; vol. 1; (1972); p. 283, View in Reaxys
Li-Salz: aus Phenylacetonitril, nBuLi; IR; UV; 1HNMR; Leitfaehigkeit
Das; Wilkie.; Journal of the American Chemical Society; vol. 94; (1972); p. 4555, View in Reaxys
Komplex mit TCNE: λ(max) (CT), E(CT)
Sakurai; Journal of Organic Chemistry; vol. 35; (1970); p. 2808, View in Reaxys
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Einschlussverb. m. Desoxycholsaeure: P
Csueroes et al.; Acta Chimica Academiae Scientiarum Hungaricae; vol. 63; (1970); p. 425, View in Reaxys
Charge-TransferKomplex m. Tetracyanoethylen: λ(max): 360 nm; ν: 27800 cm-1
Hanstein et al.; Journal of the American Chemical Society; vol. 92; (1970); p. 829,831, View in Reaxys
Clathrat: C8H7N*Dianin (C18H20O2): Dielektrizitaetskonstante bei -185grad/8.5GHz, +20grad/160KHz u. 8.5GHz; dielektrischer Verlust bei -185grad/ 8.5GHz u. 20grad/ 8.5GHz
Davies; Williams; Transactions of the Faraday Society; vol. 64; (1968); p. 529,543, View in Reaxys
Anion: IR
Yukhnovskii; Theoretical and Experimental Chemistry; vol. 3; (1967); p. 232; ; p. 410, View in Reaxys
Magnesiumsalz C6H5C(Mg)CN: aus dem Nitril, Mg-Pulver, fl. NH3; zersetzl.; Analyse; Rk. mit C2H5I in sd. Diethylether-> αPhenyl-butyronitril
Markov et al.; Chemische Berichte; vol. 97; (1964); p. 2987,2995, View in Reaxys
Na-Verb. u. p-Toluolsulfochlorid <Tetrahydrofuran, -40 grad> -> α,αDicyan- stilben u. Bis-p-tolyl-disulfon in geringen Ausbeuten
Horner; Guesten; Justus Liebigs Annalen der Chemie; vol. 652; (1962); p. 99,107, View in Reaxys
Als Phenylmalonsaeure-mononitril
Normant; Angelo; Bulletin de la Societe Chimique de France; (1960); p. 357, View in Reaxys
compound with silver-tetrafluoroborate (mp: -8--9 degree ); Further Data see Handbook
Meerwein et al.; Archiv der Pharmazie (Weinheim, Germany); vol. 291; (1958); p. 541,553, View in Reaxys
compound with copper (I)-tetrafluoroborate (mp: 121 degree ); Further Data see Handbook
Meerwein et al.; Archiv der Pharmazie (Weinheim, Germany); vol. 291; (1958); p. 541,553, View in Reaxys
monosodiumcompound; Further Data see Handbook (Chemical Behaviour)
Bodroux; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 153; (1911); p. 351; Bulletin de la Societe Chimique de France; vol. <4> 11; (1912); p. 338, View in Reaxys; Bodroux; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 152; (1911); p. 1594; Bulletin de la Societe Chimique de France; vol. <4> 9; (1911); p. 726, View in Reaxys; Paterno; Gazzetta Chimica Italiana; vol. 44 I; (1914); p. 255, View in Reaxys; Bodroux; Taboury; Bulletin de la Societe Chimique de France; vol. <4> 7; (1910); p. 735, View in Reaxys
Melting Point (5) 1 of 5
Melting Point [°C]
-22
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Witschonke; Analytical Chemistry; vol. 26; (1954); p. 562, View in Reaxys 2 of 5
Melting Point [°C]
-26
Fricke; Roebke; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 170; (1928); p. 33, View in Reaxys 3 of 5
Melting Point [°C]
-23.8
Timmermans; Bulletin des Societes Chimiques Belges; vol. 31; (1922); p. 390; Bulletin des Societes Chimiques Belges; vol. 36; (1927); p. 505; Chem. Zentralbl.; vol. 94; nb. III; (1923); p. 1137, View in Reaxys 4 of 5
Melting Point [°C]
-26.5
Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 73; (1910); p. 261, View in Reaxys 5 of 5
Melting Point [°C]
-24.6
Schneider; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 22; (1897); p. 233, View in Reaxys Boiling Point (78) Boiling Point [°C] Pressure (Boiling Point) [Torr] 233 - 234
Location
Comment (Boiling References Point)
supporting information
Patil, Umakant B.; Shendage, Suresh S.; Nagarkar, Jayashree M.; Synthesis (Germany); vol. 45; nb. 23; (2013); p. 3295 - 3299, View in Reaxys
92
6
Zhu, Jintao; Song, Guangwei; Yao, Guoxin; Chen, Gang; Synthetic Communications; vol. 42; nb. 13; (2012); p. 1934 - 1940, View in Reaxys
205 - 209
60
Malki, Fatiha; Touati, Abdelkader; Rahal, Said; Moulay, Saad; Asian Journal of Chemistry; vol. 23; nb. 3; (2011); p. 961 - 967, View in Reaxys
231 - 232
Shahsavari-Fard; Sardarian; Journal of the Iranian Chemical Society; vol. 8; nb. 1; (2011); p. 204 - 208, View in Reaxys
232 - 234
Cao, Yu-Qing; Qu, An-Li; Liu, Rui-Yan; Duan, Chun-Ming; Journal of Chemical Research; nb. 7; (2010); p. 414 - 415, View in Reaxys
80
0.6
Campbell, Jacqueline A.; McDougald, Graham; McNab, Hamish; Rees, Lovat V. C.; Tyas, Richard G.; Synthesis; nb. 20; (2007); p. 3179 3184, View in Reaxys
109 - 111
13
Takeda, Takeshi; Yamauchi, Satoshi; Fujiwara, Tooru; Synthesis; nb. 5; (1996); p. 600 - 602, View in Reaxys
72 - 75
7
Juncai, Feng; Bin, Liu; Yang, Lhi; Changchuan, Li; Synthetic Communications; vol. 26; nb. 24; (1996); p. 4545 - 4548, View in Reaxys
109
13
Butzenlechner, Maria; Thimet, Susanne; Kempe, Klaus; Kexel, Hugo; Schmidt, HannsLudwig; Phytochemistry; vol. 43; nb. 3; (1996); p. 585 - 592, View in Reaxys
230 - 235
Gaber, A. M.; El-Dean, A. M. Kamal; Atalla, A. A.; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 80; nb. 1-4; (1993); p. 101 - 108, View in Reaxys
102 - 104
10
Sahu, Devi Prasad; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 32; nb. 3; (1993); p. 385 - 386, View in Reaxys
46
0.08
Cox, Russell J.; O'Hagan, David; Journal of the Chemical Society, Perkin Transactions 1: Organic
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and Bio-Organic Chemistry (1972-1999); nb. 10; (1991); p. 2537 - 2540, View in Reaxys 106 - 107
12
Polivin, Yu. N.; Vinokurov, V. A.; Makarshin, S. V.; Karakhanov, R. A.; Silin, M. A.; Ageev, E. A.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 39; nb. 7.2; (1990); p. 1528 1530; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 7; (1990); p. 1682 - 1684, View in Reaxys
105
9
Antipin, I. S.; Vedernikov, A. N.; Konovalov, A. I.; Journal of Organic Chemistry USSR (English Translation); vol. 25; nb. 1.1; (1989); p. 1 - 9; Zhurnal Organicheskoi Khimii; vol. 25; nb. 1; (1989); p. 3 - 12, View in Reaxys
120 - 122
28
Sera, Akira; Tani, Hiroyuki; Nishiguchi, Ikuzo; Hirashima, Tsuneaki; Synthesis; nb. 7; (1987); p. 631 - 633, View in Reaxys
98 - 100
9
Frejd, Torbjoern; Klingstedt, Tomas; Synthesis; nb. 1; (1987); p. 40 - 42, View in Reaxys
80
0.5
Mai, Khuong; Path, Ghanshyam; Synthesis; nb. 12; (1986); p. 1037 - 1038, View in Reaxys
65 - 66
3
Saednya, Akbar; Synthesis; nb. 2; (1985); p. 184 - 185, View in Reaxys
76 - 78
2
Abramovitch, Rudolph A.; Kress, Albert O.; Pillay, Kutten S.; Thompson, W. Marshall; Journal of Organic Chemistry; vol. 50; nb. 12; (1985); p. 2066 - 2073, View in Reaxys
105 - 106
Schroth, W.; Kluge, H.; Frach, R.; Hodek, W.; Schaedler, H. D.; Journal fuer Praktische Chemie (Leipzig); vol. 325; nb. 5; (1983); p. 787 - 802, View in Reaxys
105
10
Molina, P.; Alajarin, M.; Vilaplana, M. J.; Synthesis; nb. 12; (1982); p. 1016 - 1017, View in Reaxys
110
15 - 16
Yokoyama, Masataka; Yoshida, Sayaka; Imamoto, Tsuneo; Synthesis; nb. 7; (1982); p. 591 592, View in Reaxys
230 - 232
760
Fresneda, P. M.; Lidon, M. J.; Molina, P.; Vilaplana, M. J.; Synthesis; nb. 9; (1981); p. 711 - 714, View in Reaxys
116
10
Olah, George A.; Narang, Subhash C.; Fung, Alexander P.; Gupta, B.G.Balaram; Synthesis; nb. 8; (1980); p. 657 - 658, View in Reaxys
130 - 131
38
Mizuno, Akira; Hamada, Yasumasa; Shioiri, Takayuki; Synthesis; nb. 12; (1980); p. 1007 - 1009, View in Reaxys
98 - 100
10
Leusen, Albert M. van; Oomkes, Piet G.; Synthetic Communications; vol. 10; nb. 5; (1980); p. 399 - 404, View in Reaxys
105
12
Avril et al.; Journal of Chemical Research, Miniprint; (1979); p. 2921,2924,2932, View in Reaxys
80 - 85
6
Olah et al.; Synthesis; (1979); p. 227, View in Reaxys
75
1
Kobler,H. et al.; Justus Liebigs Annalen der Chemie; (1978); p. 1946 - 1962, View in Reaxys
117 - 120
10
Fukunaga et al.; Nippon Kagaku Kaishi; (1977); p. 1379,1381; Chem.Abstr.; nb. 5818; (1978), View in Reaxys; Fukunaga; Yuki Gosei Kagaku
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2016-03-14 01:56:41
Kyokaishi; vol. 33; (1975); p. 774, View in Reaxys 234
760
Mauret et al.; Bulletin de la Societe Chimique de France; (1976); p. 429, View in Reaxys
75
2
Shvartsberg et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 25; (1976); p. 2138; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; vol. 25; (1976); p. 2292, View in Reaxys
234
Kindler,K.; Luehrs,K.; Chemische Berichte; vol. 99; (1966); p. 227 - 232, View in Reaxys; Ahmad; Synthesis; (1976); p. 418, View in Reaxys
56 - 57
0.1
Patent; Rhone-Poulenc S/A; DE2205360; (1972); Chem.Abstr.; vol. 77; nb. 151710, View in Reaxys; Patent; Rhone-Poulenc; US3884957; (1975); Chem.Abstr.; vol. 83; nb. 58487, View in Reaxys
107 - 109
13
Binet du Jassoneix,C.; Bulletin de la Societe Chimique de France; (1975); p. 758 - 769, View in Reaxys
115
16
Schmitz; Janisch; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 10; (1974); p. 1432,1436; Khimiya Geterotsiklicheskikh Soedinenii; vol. 10; (1974); p. 1629, View in Reaxys
107
12
Shahak,I.; Peretz,J.; Israel Journal of Chemistry; vol. 9; (1971); p. 35 - 44, View in Reaxys; Biniecki; Zlakowska; Acta poloniae pharmaceutica; vol. 23; nb. 2; (1966); p. 89 - 92, View in Reaxys; Schoellkopf; Schroeder; Angewandte Chemie; vol. 85; (1973); p. 402, View in Reaxys; Delaby et al.; Bulletin de la Societe Chimique de France; (1960); p. 864,867, View in Reaxys
92 - 93
6
Kaiser,E.M. et al.; Journal of the American Chemical Society; vol. 93; nb. 17; (1971); p. 4237 - 4242, View in Reaxys
105 - 107
12
Castro; Selve; Bulletin de la Societe Chimique de France; (1971); p. 2296, View in Reaxys
105 - 107
10 - 15
Kanaoka et al.; Chemical and Pharmaceutical Bulletin; vol. 18; (1970); p. 397,398, View in Reaxys
103 - 105
11
Patent; Dt. Akad. Wiss.; DE1443704; (1969); Chem.Abstr.; vol. 72; nb. 54358; (1970), View in Reaxys; Patent; Deutsche Akademie d. Wissenschaften zu Berlin; GB1005647; (1963); Chem.Abstr.; vol. 64; nb. 1954h; (1966), View in Reaxys
90.5 - 91.5
6.5
Tanaka; Sato; Kogyo Kagaku Zasshi; vol. 72; (1969); p. 2023,2024, 2025; Chem.Abstr.; vol. 72; nb. 78976; (1970), View in Reaxys
145 - 146
65
Sakota; Koine; Okita; Nippon Kagaku Zasshi; vol. 90; (1969); p. 77,78; Chem.Abstr.; vol. 70; (1969); p. 115517, View in Reaxys
102.5
10
Gutmann; Scherhaufer; Monatshefte fuer Chemie; vol. 99; (1968); p. 335, View in Reaxys
115 - 123
26
Ogata et al.; Tetrahedron; vol. 24; (1968); p. 1617,1620, View in Reaxys
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115 - 120
13
Caubere,P.; Loubinoux,B.; Bulletin de la Societe Chimique de France; (1968); p. 3857 - 3861, View in Reaxys
102 - 104
11.5
Kaiser et al.; Journal of Organic Chemistry; vol. 32; (1967); p. 3640,3643, View in Reaxys
77 - 78
4
Kaiser et al.; Journal of Organic Chemistry; vol. 32; (1967); p. 3640,3643, View in Reaxys
60
1
Russell et al.; Journal of Organic Chemistry; vol. 32; (1967); p. 137,140, 146, 146, View in Reaxys
109 - 111
15
Lohaus; Chemische Berichte; vol. 100; nb. 8; (1967); p. 2719, View in Reaxys
120 - 123
Caubere; Bulletin de la Societe Chimique de France; (1967); p. 3446, View in Reaxys
233
Kao; Yen; Chien; Journal of the Chinese Chemical Society (Peking); vol. 2; (1934); p. 240, View in Reaxys; Fischer et al.; Pharmazeutische Zentralhalle; vol. 105; (1966); p. 73,74, View in Reaxys
118
25
Le Fevre et al.; Journal of the Chemical Society; (1965); p. 3619,3621, View in Reaxys
110 - 115
8
Sugimoto et al.; Chemical and Pharmaceutical Bulletin; vol. 10; (1962); p. 427, View in Reaxys
112 - 116
20
Sugimoto et al.; Chemical and Pharmaceutical Bulletin; vol. 10; (1962); p. 427, View in Reaxys
115 - 119
14
Lamant,M.; Le Moine,M.; Bulletin de la Societe Chimique de France; (1961); p. 1144 - 1146, View in Reaxys
232.4
760
Wright; Journal of Chemical and Engineering Data; vol. 6; (1961); p. 454, View in Reaxys; Wright; Recueil des Travaux Chimiques des Pays-Bas; vol. 79; (1960); p. 784,786, View in Reaxys
90.5 - 91
5
Friedman; Shechter; Journal of Organic Chemistry; vol. 25; (1960); p. 877,878, View in Reaxys
108 - 112
14
Eastham; Cannon; Journal of Organic Chemistry; vol. 25; (1960); p. 1504, View in Reaxys
231 - 232
745
Eastham; Cannon; Journal of Organic Chemistry; vol. 25; (1960); p. 1504, View in Reaxys
52 - 53
0.1
Ferris,A.F.; Journal of Organic Chemistry; vol. 25; (1960); p. 12 - 18, View in Reaxys
99 - 100
10
Trippett; Walker; Journal of the Chemical Society; (1960); p. 2976, View in Reaxys
230
Kindler; Schrader; Justus Liebigs Annalen der Chemie; vol. 564; (1949); p. 49,51, 52, View in Reaxys
108.5
15
Jeffery; Vogel; Journal of the Chemical Society; (1948); p. 663, View in Reaxys
109.5
15
Herz; Kohlrausch; Seewann-Albert; Monatshefte fuer Chemie; vol. 76; (1946); p. 112,120, View in Reaxys
231
755.8
Friend; Hargreaves; Phil. Mag.; vol. <7> 35; (1944); p. 619,628, View in Reaxys
107.1 - 107.3
12
Reitz; Stockmair; Monatshefte fuer Chemie; vol. 67; (1936); p. 92,99, View in Reaxys
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115.2 - 115.4
19
Smyth; Walls; Journal of the American Chemical Society; vol. 54; (1932); p. 1854,1858, View in Reaxys
128.5 - 129.5
31
Mitchell; Reid; Journal of the American Chemical Society; vol. 53; (1931); p. 327, View in Reaxys
110 - 111
14
Wuyts; Bulletin des Societes Chimiques Belges; vol. 39; (1930); p. 58,63, View in Reaxys
233.5
760
Grimm; Patrick; Journal of the American Chemical Society; vol. 45; (1923); p. 2799, View in Reaxys
233.9
760
Timmermans; Bulletin des Societes Chimiques Belges; vol. 31; (1922); p. 390; Bulletin des Societes Chimiques Belges; vol. 36; (1927); p. 505; Chem. Zentralbl.; vol. 94; nb. III; (1923); p. 1137, View in Reaxys
85
3
Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 78; (1912); p. 274; Chem. Zentralbl.; vol. 84; nb. II; (1913); p. 209, View in Reaxys
118 - 119
20
Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 70; (1910); p. 575, View in Reaxys
233 - 234
760
231 - 232
755
Berthelot; Petit; Annales de Chimie (Cachan, France); vol. <6>18; (1889); p. 112, View in Reaxys
107 - 107.4
12
Anschuetz; Berns; Chemische Berichte; vol. 20; (1887); p. 1390, View in Reaxys
Fluessigkeit.
231.7
Perkin; Journal of the Chemical Society; vol. 69; (1896); p. 1241; Journal of the Chemical Society; vol. 77; (1900); p. 278, View in Reaxys
Hofmann,A. W.; Chemische Berichte; vol. 7; (1874); p. 519, View in Reaxys
Refractive Index (39) Refractive Index Wavelength (Refractive Index) [nm]
Temperature (Re- References fractive Index) [°C]
1.5011
589
20
Gaber, A. M.; El-Dean, A. M. Kamal; Atalla, A. A.; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 80; nb. 1-4; (1993); p. 101 - 108, View in Reaxys
1.5223
589
20
Antipin, I. S.; Vedernikov, A. N.; Konovalov, A. I.; Journal of Organic Chemistry USSR (English Translation); vol. 25; nb. 1.1; (1989); p. 1 9; Zhurnal Organicheskoi Khimii; vol. 25; nb. 1; (1989); p. 3 - 12, View in Reaxys
1.5214
589
20
Schroth, W.; Kluge, H.; Frach, R.; Hodek, W.; Schaedler, H. D.; Journal fuer Praktische Chemie (Leipzig); vol. 325; nb. 5; (1983); p. 787 - 802, View in Reaxys
1.52393
589
20
Stryjek et al.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques; vol. 27; (1979); p. 127,128,129,132-135, View in Reaxys
1.519
589
23
Patent; Schering AG; DE2909871; (1979); Chem.Abstr.; vol. 93; nb. 239193, View in Reaxys
1.523
589
25
Mauret et al.; Bulletin de la Societe Chimique de France; (1976); p. 429, View in Reaxys
1.503
589
20
Castro; Selve; Bulletin de la Societe Chimique de France; (1971); p. 2296, View in Reaxys
1.512
589
20
Gillis; Dain; Journal of Organic Chemistry; vol. 36; (1971); p. 518, View in Reaxys
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1.5207
589
20
Sachariewa et al.; Izvestiya na Otdelenieto za Khimicheski Nauki (Bulgarska Akademiya na Naukite); vol. 4; (1971); p. 427,428, 430, 433, View in Reaxys
1.5286
589
20
Monfort et al.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 67; (1970); p. 748,749-753, View in Reaxys
1.522
589
25
Caubere,P.; Loubinoux,B.; Bulletin de la Societe Chimique de France; (1968); p. 3857 - 3861, View in Reaxys
1.5211
589
25
Russell et al.; Journal of Organic Chemistry; vol. 32; (1967); p. 137,140, 146, 146, View in Reaxys
1.5211
589
20
Fischer; Neupauer; Mikrochemie; vol. 34; (1949); p. 319,322, View in Reaxys; Fischer et al.; Pharmazeutische Zentralhalle; vol. 105; (1966); p. 73,74, View in Reaxys
1.5198
589
25
Wright; Journal of Chemical and Engineering Data; vol. 6; (1961); p. 454, View in Reaxys; Wright; Recueil des Travaux Chimiques des Pays-Bas; vol. 79; (1960); p. 784,786, View in Reaxys
1.5209
589
24
Delaby et al.; Bulletin de la Societe Chimique de France; (1960); p. 864,867, View in Reaxys
1.5208
589
25
Ferris,A.F.; Journal of Organic Chemistry; vol. 25; (1960); p. 12 - 18, View in Reaxys
1.5237 - 1.5238
589
20 - 29
Friedman; Shechter; Journal of Organic Chemistry; vol. 25; (1960); p. 877,878, View in Reaxys
1.5183
656.3
20
Jeffery; Vogel; Journal of the Chemical Society; (1948); p. 663, View in Reaxys
1.5227
589
20
Jeffery; Vogel; Journal of the Chemical Society; (1948); p. 663, View in Reaxys
1.5316
486.1
20
Jeffery; Vogel; Journal of the Chemical Society; (1948); p. 663, View in Reaxys
1.5426
434.1
20
Jeffery; Vogel; Journal of the Chemical Society; (1948); p. 663, View in Reaxys
1.5225
589
20
Moll; Koll. Beih.; vol. 49; (1939); p. 1,7, View in Reaxys
1.5213
589
25
Kao; Yen; Chien; Journal of the Chinese Chemical Society (Peking); vol. 2; (1934); p. 240, View in Reaxys
1.5234
589
20
Kao; Yen; Chien; Journal of the Chinese Chemical Society (Peking); vol. 2; (1934); p. 240, View in Reaxys
1.5209
589
25
Smyth; Walls; Journal of the American Chemical Society; vol. 54; (1932); p. 1854,1858, View in Reaxys
1.5233
589
20
Smyth; Walls; Journal of the American Chemical Society; vol. 54; (1932); p. 1854,1858, View in Reaxys
1.5198
656.3
17
Cotton; Mouton; Annales de Chimie (Cachan, France); vol. <8> 28; (1913); p. 215, View in Reaxys
1.5243
589
17
Cotton; Mouton; Annales de Chimie (Cachan, France); vol. <8> 28; (1913); p. 215, View in Reaxys
1.5355
486.1
17
Cotton; Mouton; Annales de Chimie (Cachan, France); vol. <8> 28; (1913); p. 215, View in Reaxys
1.52133
656.3
16.9
Falk; Journal of the American Chemical Society; vol. 31; (1909); p. 808, View in Reaxys
1.5257
589
16.9
Falk; Journal of the American Chemical Society; vol. 31; (1909); p. 808, View in Reaxys
1.53705
486.1
16.9
Falk; Journal of the American Chemical Society; vol. 31; (1909); p. 808, View in Reaxys
1.52105
589
25
Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 59; (1907); p. 394; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 65; (1909); p. 143, View in Reaxys
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1.51977
656.3
20.2
Bruehl; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 16; (1895); p. 214; Chemische Berichte; vol. 26; (1893); p. 2515, View in Reaxys
1.52422
589
20.2
Bruehl; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 16; (1895); p. 214; Chemische Berichte; vol. 26; (1893); p. 2515, View in Reaxys
1.54552
434
20.2
Bruehl; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 16; (1895); p. 214; Chemische Berichte; vol. 26; (1893); p. 2515, View in Reaxys
1.52033
656.3
17.5
Eijkman; Recueil des Travaux Chimiques des Pays-Bas; vol. 12; (1893); p. 181; Recueil des Travaux Chimiques des Pays-Bas; vol. 14; (1895); p. 188, View in Reaxys
1.50144
589
17.5
Eijkman; Recueil des Travaux Chimiques des Pays-Bas; vol. 12; (1893); p. 181; Recueil des Travaux Chimiques des Pays-Bas; vol. 14; (1895); p. 188, View in Reaxys
1.53585
486.1
17.5
Eijkman; Recueil des Travaux Chimiques des Pays-Bas; vol. 12; (1893); p. 181; Recueil des Travaux Chimiques des Pays-Bas; vol. 14; (1895); p. 188, View in Reaxys
Density (40) 1 of 40
Density [g·cm-3]
1.00883
Measurement Tempera- 29.99 ture [°C] Syeda, Asra Banu; Koppula, Amara Jyothi; Boodida, Sathyanarayana; Nallani, Satyanarayana; Journal of Chemical and Engineering Data; vol. 55; nb. 3; (2010); p. 1405 - 1410, View in Reaxys 2 of 40
Density [g·cm-3]
1.00318E-06
Measurement Tempera- 34.99 ture [°C] Bachu, Ranjith Kumar; Patwari, Murali Krishna; Boodida, Sathyanarayana; Tangeda, Savitha Jyostna; Nallani, Satyanarayana; Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 47; nb. 7; (2008); p. 1026 - 1031, View in Reaxys 3 of 40
Density [g·cm-3]
0.0010032
Measurement Tempera- 34.99 ture [°C] Bachu, Ranjith Kumar; Patwari, Murali Krishna; Syeda, Asra Banu; Boodida, Satyanarayana; Tangeda, Savitha Jyostna; Nallani, Satyanarayana; Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 47; nb. 12; (2008); p. 1809 - 1813, View in Reaxys 4 of 40
Density [g·cm-3]
1.01532
Measurement Tempera- 24.99 ture [°C] Bachu, Ranjith Kumar; Patwari, Murali Krishna; Boodida, Sathyanarayana; Nallani, Satyanarayana; Journal of Chemical and Engineering Data; vol. 53; nb. 10; (2008); p. 2403 - 2407, View in Reaxys 5 of 40
Density [g·cm-3]
1.016
Measurement Tempera- 19.85 ture [°C] Verevkin, Sergey P.; Journal of Chemical Thermodynamics; vol. 32; nb. 2; (2000); p. 207 - 215, View in Reaxys 6 of 40
Density [g·cm-3]
1.0123
Measurement Tempera- 25 ture [°C] Haijun, Wang; Mingzhi, Chen; Guokang, Zheng; Journal of Chemical Thermodynamics; vol. 27; nb. 7; (1995); p. 815 - 820, View in Reaxys 7 of 40
Density [g·cm-3]
1.013
Reference Temperature [°C]
4
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Measurement Tempera- 25 ture [°C] Mauret et al.; Bulletin de la Societe Chimique de France; (1976); p. 429, View in Reaxys 8 of 40
Density [g·cm-3]
1.01
Reference Temperature [°C]
4
Measurement Tempera- 25 ture [°C] Monfort et al.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 67; (1970); p. 748,749-753, View in Reaxys 9 of 40
Density [g·cm-3]
0.8637 - 1.0125
Reference Temperature [°C]
4
Measurement Tempera- 25 - 200 ture [°C] del Rosario; Lind; Journal of Physical Chemistry; vol. 70; (1966); p. 2876,2877 - 2879, View in Reaxys 10 of 40
Density [g·cm-3]
1.0321
Reference Temperature [°C]
4
Measurement Tempera- 0 ture [°C] Wright; Journal of Chemical and Engineering Data; vol. 6; (1961); p. 454, View in Reaxys; Wright; Recueil des Travaux Chimiques des Pays-Bas; vol. 79; (1960); p. 784,786, View in Reaxys 11 of 40
Density [g·cm-3]
0.9659 - 1.0155
Reference Temperature [°C]
4
Measurement Tempera- 20 - 86 ture [°C] Jeffery; Vogel; Journal of the Chemical Society; (1948); p. 663, View in Reaxys 12 of 40
Density [g·cm-3]
0.8622 - 1.0149
Reference Temperature [°C]
4
Measurement Tempera- 18.2 - 200.1 ture [°C] Friend; Hargreaves; Phil. Mag.; vol. <7> 35; (1944); p. 619,628, View in Reaxys 13 of 40
Density [g·cm-3]
1.015
Reference Temperature [°C]
4
Measurement Tempera- 20 ture [°C] Suhrmann; Klein; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. <B> 50; (1941); p. 35; Atti X. Congr. int. Chim. Rom 1938; vol. Bd.; p. 2 S. 525, 529, View in Reaxys 14 of 40
Density [g·cm-3]
1.021
Measurement Tempera- 20 ture [°C] Moll; Koll. Beih.; vol. 49; (1939); p. 1,7, View in Reaxys 15 of 40
Density [g·cm-3]
1.0126
Reference Temperature [°C]
4
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Measurement Tempera- 25 ture [°C] Kao; Yen; Chien; Journal of the Chinese Chemical Society (Peking); vol. 2; (1934); p. 240, View in Reaxys 16 of 40
Density [g·cm-3]
1.0165
Reference Temperature [°C]
4
Measurement Tempera- 20 ture [°C] Kao; Yen; Chien; Journal of the Chinese Chemical Society (Peking); vol. 2; (1934); p. 240, View in Reaxys 17 of 40
Density [g·cm-3]
0.9914
Reference Temperature [°C]
4
Measurement Tempera- 50 ture [°C] Smyth; Walls; Journal of the American Chemical Society; vol. 54; (1932); p. 1854,1858, View in Reaxys 18 of 40
Density [g·cm-3]
1.0119
Reference Temperature [°C]
4
Measurement Tempera- 25 ture [°C] Smyth; Walls; Journal of the American Chemical Society; vol. 54; (1932); p. 1854,1858, View in Reaxys 19 of 40
Density [g·cm-3]
1.0172
Reference Temperature [°C]
20
Measurement Tempera- 20 ture [°C] Wuyts; Bulletin des Societes Chimiques Belges; vol. 39; (1930); p. 58,63, View in Reaxys 20 of 40
Density [g·cm-3]
0.992
Reference Temperature [°C]
4
Measurement Tempera- 51 ture [°C] Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 70; (1910); p. 575, View in Reaxys 21 of 40
Density [g·cm-3]
1.015
Reference Temperature [°C]
4
Measurement Tempera- 21.5 ture [°C] Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 70; (1910); p. 575, View in Reaxys 22 of 40
Density [g·cm-3]
1.032
Reference Temperature [°C]
4
Measurement Tempera- 1.3 ture [°C] Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 70; (1910); p. 575, View in Reaxys 23 of 40
Density [g·cm-3]
0.9792
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Reference Temperature [°C]
4
Measurement Tempera- 60 ture [°C] Turner; Merry; Journal of the Chemical Society; vol. 97; (1910); p. 2076, View in Reaxys 24 of 40
Density [g·cm-3]
0.9939
Reference Temperature [°C]
4
Measurement Tempera- 45 ture [°C] Turner; Merry; Journal of the Chemical Society; vol. 97; (1910); p. 2076, View in Reaxys 25 of 40
Density [g·cm-3]
1.0076
Reference Temperature [°C]
4
Measurement Tempera- 30 ture [°C] Turner; Merry; Journal of the Chemical Society; vol. 97; (1910); p. 2076, View in Reaxys 26 of 40
Density [g·cm-3]
1.0157
Reference Temperature [°C]
4
Measurement Tempera- 20 ture [°C] Turner; Merry; Journal of the Chemical Society; vol. 97; (1910); p. 2076, View in Reaxys 27 of 40
Density [g·cm-3]
1.0181
Measurement Tempera- 18 ture [°C] Dawson; Journal of the Chemical Society; vol. 97; (1910); p. 1046, View in Reaxys 28 of 40
Density [g·cm-3]
1.0325
Reference Temperature [°C]
4
Measurement Tempera- 0 ture [°C] Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 65; (1909); p. 134; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 66; (1909); p. 395,427, View in Reaxys 29 of 40
Density [g·cm-3]
1.0125
Reference Temperature [°C]
4
Measurement Tempera- 0 ture [°C] Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 65; (1909); p. 134; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 66; (1909); p. 395,427, View in Reaxys 30 of 40
Density [g·cm-3]
1.0166
Reference Temperature [°C]
0
Measurement Tempera- 22.1 ture [°C] Falk; Journal of the American Chemical Society; vol. 31; (1909); p. 808, View in Reaxys 31 of 40
Density [g·cm-3]
0.9775
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Reference Temperature [°C]
4
Measurement Tempera- 70 ture [°C] Falk; Journal of the American Chemical Society; vol. 31; (1909); p. 808, View in Reaxys 32 of 40
Density [g·cm-3]
1.0345
Reference Temperature [°C]
4
Measurement Tempera- 0 ture [°C] Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 55; (1906); p. 220, View in Reaxys 33 of 40
Density [g·cm-3]
1.0148
Reference Temperature [°C]
4
Measurement Tempera- 25 ture [°C] Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 55; (1906); p. 220, View in Reaxys 34 of 40
Density [g·cm-3]
1.0296
Reference Temperature [°C]
4
Measurement Tempera- 4 ture [°C] Perkin; Journal of the Chemical Society; vol. 69; (1896); p. 1241; Journal of the Chemical Society; vol. 77; (1900); p. 278, View in Reaxys 35 of 40
Density [g·cm-3]
1.0214
Reference Temperature [°C]
15
Measurement Tempera- 15 ture [°C] Perkin; Journal of the Chemical Society; vol. 69; (1896); p. 1241; Journal of the Chemical Society; vol. 77; (1900); p. 278, View in Reaxys 36 of 40
Density [g·cm-3]
1.0154
Reference Temperature [°C]
25
Measurement Tempera- 25 ture [°C] Perkin; Journal of the Chemical Society; vol. 69; (1896); p. 1241; Journal of the Chemical Society; vol. 77; (1900); p. 278, View in Reaxys 37 of 40
Density [g·cm-3]
1.0176
Reference Temperature [°C]
4
Measurement Tempera- 20.2 ture [°C] Bruehl; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 16; (1895); p. 214; Chemische Berichte; vol. 26; (1893); p. 2515, View in Reaxys 38 of 40
Density [g·cm-3]
1.0171
Reference Temperature [°C]
4
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Measurement Tempera- 17.5 ture [°C] Eijkman; Recueil des Travaux Chimiques des Pays-Bas; vol. 12; (1893); p. 181; Recueil des Travaux Chimiques des Pays-Bas; vol. 14; (1895); p. 188, View in Reaxys 39 of 40
Density [g·cm-3]
1.0146
Measurement Tempera- 18 ture [°C] Hofmann,A. W.; Chemische Berichte; vol. 7; (1874); p. 519, View in Reaxys 40 of 40
Density [g·cm-3]
1.0155
Measurement Tempera- 8 ture [°C] Radziszewski; Chemische Berichte; vol. 3; (1870); p. 198, View in Reaxys Adsorption (MCS) (4) 1 of 4
Description (Adsorption (MCS))
Enthalpy of adsorption
Solvent (Adsorption (MCS))
aq. HNO3
Partner (Adsorption (MCS))
Cu
Fouda, A. S.; Al-Naimi, I. S.; Bulletin de la Societe Chimique de France; nb. 1; (1991); p. 35 - 38, View in Reaxys 2 of 4
Description (Adsorption (MCS))
Further physical properties of the adsorbed molecule
Temperature (Adsorption (MCS)) [°C]
21.4
Partner (Adsorption (MCS))
Cyclopentane
Pyzuk, Wieslaw; Krupkowski, Teodor; Dolecki, Jerzy; Paduszek, Barbara; Polish Journal of Chemistry; vol. 56; nb. 10-12; (1982); p. 1477 - 1482, View in Reaxys 3 of 4
Description (Adsorption (MCS))
Adsorption to title compound
Partner (Adsorption (MCS))
CO
Gjaldbaek, J. C.; Andersen, E. K.; Acta Chemica Scandinavica (1947-1973); vol. 8; (1954); p. 1398 - 1413, View in Reaxys; vol. C: MVol.C1; 119, page 277 - 284 ; (from Gmelin), View in Reaxys 4 of 4
Description (Adsorption (MCS))
Adsorption to title compound
Partner (Adsorption (MCS))
CO2
Gjaldbaek, J. C.; Andersen, E. K.; Acta Chemica Scandinavica (1947-1973); vol. 8; (1954); p. 1398 - 1413, View in Reaxys; vol. C: MVol.C1; 215, page 548 - 568 ; (from Gmelin), View in Reaxys Association (MCS) (21) 1 of 21
Description (Association UV/VIS spectrum of the complex (MCS)) Solvent (Association (MCS))
acetonitrile
Partner (Association (MCS))
TCNB
Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys 2 of 21
Description (Association IR spectrum of the complex (MCS))
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Partner (Association (MCS))
antimony(V) fluoride
Hoti, Ramiz; Mihalic, Zlatko; Vancik, Hrvoj; Croatica Chemica Acta; vol. 68; nb. 2; (1995); p. 359 - 371, View in Reaxys 3 of 21
Description (Association Dipole moment of the complex (MCS)) Solvent (Association (MCS))
cyclohexane
Temperature (Association (MCS)) [°C]
25
Partner (Association (MCS))
chloroform
Deb, Sumit; Bhat, Subray N.; Journal of the Indian Chemical Society; vol. 71; nb. 1; (1994); p. 53 - 56, View in Reaxys 4 of 21
Description (Association Enthalpy of association (MCS)) Solvent (Association (MCS))
CCl4
Temperature (Association (MCS)) [°C]
20 - 50
Partner (Association (MCS))
phenol
Gramstad, Thor; Stangeland, Leiv Jonn; Acta Chemica Scandinavica; vol. 47; nb. 6; (1993); p. 605 - 609, View in Reaxys 5 of 21
Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))
CCl4
Temperature (Association (MCS)) [°C]
20 - 50
Partner (Association (MCS))
phenol
Gramstad, Thor; Stangeland, Leiv Jonn; Acta Chemica Scandinavica; vol. 47; nb. 6; (1993); p. 605 - 609, View in Reaxys 6 of 21
Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))
dioxane
Temperature (Association (MCS)) [°C]
25
Partner (Association (MCS))
lithium picrate
Tsvetanov, Ch. B.; Petrova, E. B.; Dimov, D. K.; Panayotov, I. M.; Smid, J.; Journal of Solution Chemistry; vol. 19; nb. 5; (1990); p. 425 - 436, View in Reaxys 7 of 21
Description (Association IR spectrum of the complex (MCS)) Solvent (Association (MCS))
CHCl3
Partner (Association (MCS))
Cr(CO)3
Boutonnet, Jean-Charles; Rose-Munch, Francoise; Rose, Eric; Semra, Assia; Bulletin de la Societe Chimique de France; nb. 4; (1987); p. 640 - 648, View in Reaxys
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8 of 21
Description (Association NMR spectrum of the complex (MCS)) Solvent (Association (MCS))
CDCl3
Partner (Association (MCS))
Cr(CO)3
Boutonnet, Jean-Charles; Rose-Munch, Francoise; Rose, Eric; Semra, Assia; Bulletin de la Societe Chimique de France; nb. 4; (1987); p. 640 - 648, View in Reaxys 9 of 21
Description (Association Further physical properties of the complex (MCS)) Partner (Association (MCS))
Cyclopentane
Pyzuk, Wieslaw; Journal of Physical Chemistry; vol. 90; nb. 4; (1986); p. 699 - 702, View in Reaxys 10 of 21
Description (Association Enthalpy of association (MCS)) Solvent (Association (MCS))
CH2Cl2
Temperature (Association (MCS)) [°C]
25
Partner (Association (MCS))
boron trifluoride
Maria, Pierre-Charles; Gal, Jean-Francois; Journal of Physical Chemistry; vol. 89; nb. 7; (1985); p. 1296 - 1304, View in Reaxys 11 of 21
Description (Association Enthalpy of association (MCS)) Solvent (Association (MCS))
CCl4
Temperature (Association (MCS)) [°C]
35
Partner (Association (MCS))
tetramethylurea
Takagi, Tatsuya; Fujiwara, Hideaki; Sasaki, Yoshio; Bulletin of the Chemical Society of Japan; vol. 57; nb. 5; (1984); p. 1299 - 1303, View in Reaxys 12 of 21
Description (Association Enthalpy of association (MCS)) Solvent (Association (MCS))
CCl4
Temperature (Association (MCS)) [°C]
35
Partner (Association (MCS))
butyl sulfoxide
Takagi, Tatsuya; Fujiwara, Hideaki; Sasaki, Yoshio; Bulletin of the Chemical Society of Japan; vol. 57; nb. 5; (1984); p. 1299 - 1303, View in Reaxys 13 of 21
Description (Association NMR spectrum of the complex (MCS)) Solvent (Association (MCS))
CCl4
Temperature (Association (MCS)) [°C]
35
Partner (Association (MCS))
tetramethylurea
Takagi, Tatsuya; Fujiwara, Hideaki; Sasaki, Yoshio; Bulletin of the Chemical Society of Japan; vol. 57; nb. 5; (1984); p. 1299 - 1303, View in Reaxys
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14 of 21
Description (Association NMR spectrum of the complex (MCS)) Solvent (Association (MCS))
CCl4
Temperature (Association (MCS)) [°C]
35
Partner (Association (MCS))
butyl sulfoxide
Takagi, Tatsuya; Fujiwara, Hideaki; Sasaki, Yoshio; Bulletin of the Chemical Society of Japan; vol. 57; nb. 5; (1984); p. 1299 - 1303, View in Reaxys 15 of 21
Description (Association Association with compound (MCS)) Temperature (Association (MCS)) [°C]
23
Partner (Association (MCS))
benzene
Fessenden, Richard W.; Hitachi, A.; Nagarajan, V.; Journal of Physical Chemistry; vol. 88; nb. 1; (1984); p. 107 110, View in Reaxys 16 of 21
Description (Association Association with compound (MCS)) Temperature (Association (MCS)) [°C]
23
Partner (Association (MCS))
cyclohexane
Fessenden, Richard W.; Hitachi, A.; Nagarajan, V.; Journal of Physical Chemistry; vol. 88; nb. 1; (1984); p. 107 110, View in Reaxys 17 of 21
Description (Association Association with compound (MCS)) Temperature (Association (MCS)) [°C]
23
Partner (Association (MCS))
decane
Fessenden, Richard W.; Hitachi, A.; Nagarajan, V.; Journal of Physical Chemistry; vol. 88; nb. 1; (1984); p. 107 110, View in Reaxys 18 of 21
Description (Association Stability constant of the complex with ... (MCS)) Anderson; Norbury; Journal of the Chemical Society, Chemical Communications; (1975); p. 48, View in Reaxys
19 of 21
Description (Association Association with compound (MCS)) Barakat et al.; Transactions of the Faraday Society; vol. 65; (1969); p. 41,43, View in Reaxys; White; Thompson; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 291; (1966); p. 460,462, View in Reaxys
20 of 21
Description (Association Enthalpy of association (MCS)) Barakat et al.; Transactions of the Faraday Society; vol. 65; (1969); p. 41,43, View in Reaxys; Gutmann; Scherhaufer; Monatshefte fuer Chemie; vol. 99; (1968); p. 335, View in Reaxys
21 of 21
Description (Association Spectrum of the complex (MCS)) Comment (Association (MCS))
Frequenz der CN-Valenzschwingung und der CN-Deformationsschwingung.
Hidalgo; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 249; (1959); p. 395, View in Reaxys Chromatographic Data (5)
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Chromatographic data
Location
References
GC (Gas chromatography)
Brokl, Michal; Fauconnier, Marie-Laure; Benini, Celine; Lognay, Georges; Du Jardin, Patrick; Focant, Jean-Francois; Molecules; vol. 18; nb. 2; (2013); p. 1783 - 1797, View in Reaxys; Liu, Zhi-Hua; Liu, Chun-Bo; Chen, Yong-Kuan; He, Xi-Yong; Sun, ZhiYong; Miao, Ming-Ming; Asian Journal of Chemistry; vol. 25; nb. 3; (2013); p. 1265 - 1269, View in Reaxys; Zhou; Lv; Jiang; Wu; Lian; Wang; Meng; Asian Journal of Chemistry; vol. 27; nb. 5; (2015); p. 1899 - 1902, View in Reaxys; Lv, Shidong; Wu, Yuanshuang; Wei, Jifu; Lian, Ming; Wang, Chen; Gao, Xuemei; Meng, Qingxiong; RSC Advances; vol. 5; nb. 107; (2015); p. 87806 - 87817, View in Reaxys; Nielsen, Lasse Janniche; Moller, Birger Lindberg; Phytochemistry (Elsevier); vol. 120; (2015); p. 3 - 18, View in Reaxys
HPLC (High performance liquid chromatography)
Gooding, Owen W.; Lindberg, Thomas; Miller, Wendy; Munyak, Edward; Vo, Lanchi; Organic Process Research and Development; vol. 5; nb. 3; (2001); p. 283 - 293, View in Reaxys; Yang, Guang-Hui; Liu, Ming; Li, Na; Wu, Ran; Chen, Xu; Pan, LingLing; Gao, Shang; Huang, Xing; Wang, Chen; Yu, Chuan-Ming; European Journal of Organic Chemistry; vol. 2015; nb. 3; (2015); p. 616 - 624, View in Reaxys
TLC (Thin layer chromatography)
supporting information
Lakshman, Mahesh K.; Singh, Manish K.; Kumar, Mukesh; Chamala, Raghu Ram; Yedulla, Vijayender R.; Wagner, Domenick; Leung, Evan; Yang, Lijia; Matin, Asha; Ahmad, Sadia; Beilstein Journal of Organic Chemistry; vol. 10; (2014); p. 1919 - 1932, View in Reaxys; Dighe, Shashikant U.; Chowdhury, Deepan; Batra, Sanjay; Advanced Synthesis and Catalysis; vol. 356; nb. 18; (2014); p. 3892 - 3896, View in Reaxys
GC (Gas chroma- supporting infortography) mation
Wang, Kaige; Brown, Robert C.; Green Chemistry; vol. 15; nb. 3; (2013); p. 675 - 681, View in Reaxys
HPLC (High performance liquid chromatography)
Dev, Dharm; Palakurthy, Nani Babu; Kumar, Nitesh; Mandal, Bhubaneswar; Tetrahedron Letters; vol. 54; nb. 33; (2013); p. 4397 - 4400, View in Reaxys
supporting information
Conformation (1) Object of Investi- References gation Conformation
Strobykina, I. Yu.; Vul'fson, S. G.; Kataev, V. E.; Butenko, O. Yu.; Vereshchagin, A. N.; J. Gen. Chem. USSR (Engl. Transl.); vol. 58; nb. 2; (1988); p. 457 - 462,398 - 401, View in Reaxys
Crystal Property Description (6) Colour & Other Location Properties yellow
References Sugimoto, Osamu; Harada, Yukihiro; Tanji, Ken-Ichi; Heterocycles; vol. 86; nb. 2; (2012); p. 1583 - 1590, View in Reaxys; Keita, Massaba; Vandamme, Mathilde; Paquin, Jean-Franois; Synthesis (Germany); vol. 47; nb. 23; (2015); p. 3758 - 3766; Art.No: SS-2015-M0394-OP, View in Reaxys
colourless
supporting information
Patil, Umakant B.; Shendage, Suresh S.; Nagarkar, Jayashree M.; Synthesis (Germany); vol. 45; nb. 23; (2013); p. 3295 - 3299, View in Reaxys; Noei, Jalil; Mirjafari, Arsalan; Tetrahedron Letters; vol. 55; nb. 32; (2014); p. 4424 - 4426, View in Reaxys; Dighe, Shashikant U.; Chowdhury, Deepan; Batra, Sanjay; Advanced Synthesis and Catalysis; vol. 356; nb. 18; (2014); p. 3892 - 3896, View in Reaxys; Zou, Tao; Yu, Xiaoqiang; Feng, Xiujuan; Bao, Ming; Chemical Communications; vol. 51; nb. 53; (2015); p. 10714 - 10717, View in Reaxys; Nambo, Masakazu; Yar, Muhammad; Smith, Joel D.; Crudden, Cathleen M.; Organic Letters; vol. 17; nb. 1; (2015); p. 50 - 53, View in Reaxys
yellow
supporting information
Rai, Ankita; Yadav, Lal Dhar S.; European Journal of Organic Chemistry; nb. 10; (2013); p. 1889 - 1893, View in Reaxys; Shen, Tao; Wang, Teng; Qin, Chong; Jiao, Ning; Angewandte Chemie - International Edition; vol. 52; nb. 26; (2013); p. 6677 - 6680; Angew. Chem.; vol. 125; nb. 26; (2013); p. 6809 - 6612,4, View in Reaxys; Tang, Hai-Tao; Zhou, Yun-Bing; Zhu, Yu; Sun, Hong-Chao; Lin, Min; Zhan, Zhuang-Ping; Chemistry - An Asian Journal; vol. 9; nb. 5; (2014); p. 1278 - 1281, View in Reaxys; Lakshman, Mahesh K.; Singh, Manish K.; Kumar, Mukesh; Chamala, Raghu Ram; Yedulla, Vijayender R.; Wagner, Domenick; Leung, Evan; Yang, Lijia; Matin, Asha; Ahmad, Sadia; Beilstein Journal of Organic Chemistry; vol. 10; (2014); p. 1919 - 1932, View in Reaxys
colourless
Shimojo, Hiroyuki; Moriyama, Katsuhiko; Togo, Hideo; Synthesis (Germany); vol. 45; nb. 15; (2013); p. 2155 - 2164; Art.No: SS-2013-F0311-OP, View in Reaxys
yellow
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys
colourless
supporting information
Hanada, Shiori; Motoyama, Yukihiro; Nagashima, Hideo; European Journal of Organic Chemistry; nb. 24; (2008); p. 4097 - 4100, View in Reaxys; Zhou, Shaolin; Junge, Kathrin;
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Addis, Daniele; Das, Shoubhik; Beller, Matthias; Organic Letters; vol. 11; nb. 11; (2009); p. 2461 - 2464, View in Reaxys; Zhu, Chenjie; Ji, Lei; Wei, Yunyang; Synthesis; nb. 18; (2010); p. 3121 - 3125, View in Reaxys; Zhu, Chenjie; Sun, Chengguo; Wei, Yunyang; Synthesis; nb. 24; (2010); p. 4235 - 4241; Art.No: F14610SS, View in Reaxys; Shang, Rui; Ji, Dong-Sheng; Chu, Ling; Fu, Yao; Liu, Lei; Angewandte Chemie - International Edition; vol. 50; nb. 19; (2011); p. 4470 - 4474, View in Reaxys Decomposition (1) 1 of 1
Bengelsdorf; Journal of Organic Chemistry; vol. 28; (1963); p. 1369,1371, View in Reaxys
Dielectric Constant (5) Dielectric ConFrequency (Diestant lectric Constant) [Hz]
Temperature (Die- References lectric Constant) [°C]
19.5
20
2E+06
Laurence, Christian; Nicolet, Pierre; Dalati, M. Tawfik; Abboud, Jose-Luis M.; Notario, Rafael; Journal of Physical Chemistry; vol. 98; nb. 23; (1994); p. 5807 - 5816, View in Reaxys Decroocq; Jungers; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 252; (1961); p. 1454,1455, View in Reaxys; del Rosario; Lind; Journal of Physical Chemistry; vol. 70; (1966); p. 2876,2877 - 2879, View in Reaxys; Le Fevre et al.; Journal of the Chemical Society; (1965); p. 3619,3621, View in Reaxys; Forest; Smyth; Journal of the American Chemical Society; vol. 86; (1964); p. 3474,3475, View in Reaxys
16.8
51
Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 70; (1910); p. 575, View in Reaxys
18.23
21.5
Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 70; (1910); p. 575, View in Reaxys
19.95
1.3
Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 70; (1910); p. 575, View in Reaxys
Dissociation Energy (4) Dissociation Ener- Bond Type gy [Jmol-1]
References
504509
C(+)/H(-)
Zhang, Xian-Man; Bruno, Joseph W.; Enyinnaya, Emmeline; Journal of Organic Chemistry; vol. 63; nb. 14; (1998); p. 4671 - 4678, View in Reaxys
342899
H-C
Bordwell; Cheng, Jin-Pei; Ji, Guo-Zhen; Satish; Zhang, Xianman; Journal of the American Chemical Society; vol. 113; nb. 26; (1991); p. 9790 - 9795, View in Reaxys
344155
α-C-H
Bordwell, F. G.; Cheng, Jin-Pei; Harrelson, John A. Jr.; Journal of the American Chemical Society; vol. 110; nb. 4; (1988); p. 1229 - 1231, View in Reaxys McMahon; Kebarle; Journal of the American Chemical Society; vol. 96; (1974); p. 5940, View in Reaxys
Dissociation Exponent (16) 1 of 16
Dissociation Exponent (pK)
22
Type (Dissociation Exponent)
a1/apparent
Comment (Dissociation Exponent)
DE
Do, Jungho; Kim, Sung-Gon; Tetrahedron Letters; vol. 52; nb. 18; (2011); p. 2353 - 2355, View in Reaxys 2 of 16
Dissociation Exponent (pK)
22
Type (Dissociation Exponent)
a1/apparent
Vleggaar, Robert; Zeevaart, Jacob G.; Tetrahedron Letters; vol. 40; nb. 52; (1999); p. 9301 - 9303, View in Reaxys 3 of 16
Dissociation Exponent (pK)
21.9
Dissociation Group
H-C
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Temperature (Dissociation Exponent) [°C]
25
Solvent (Dissociation Exponent)
dimethylsulfoxide
Type (Dissociation Exponent)
a1/apparent
Bordwell; Cheng, Jin-Pei; Ji, Guo-Zhen; Satish; Zhang, Xianman; Journal of the American Chemical Society; vol. 113; nb. 26; (1991); p. 9790 - 9795, View in Reaxys 4 of 16
Type (Dissociation Exponent)
a1/apparent
Artamkina, G. A.; Kovalenko, S. V.; Beletskaya, I. P.; Reutov, O. A.; Journal of Organic Chemistry USSR (English Translation); vol. 26; nb. 5.1; (1990); p. 801 - 806; Zhurnal Organicheskoi Khimii; vol. 26; nb. 5; (1990); p. 933 - 939, View in Reaxys 5 of 16
Dissociation Exponent (pK)
21.91
Temperature (Dissociation Exponent) [°C]
25
Solvent (Dissociation Exponent)
dimethylsulfoxide
Method (Dissociation Exponent)
potentiometric
Type (Dissociation Exponent)
a1/apparent
Bowden, Keith; Hirani, Shamin I. J.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1990); p. 1889 - 1891, View in Reaxys 6 of 16
Dissociation Exponent (pK)
21.7
Temperature (Dissociation Exponent) [°C]
25
Solvent (Dissociation Exponent)
dimethylsulfoxide
Type (Dissociation Exponent)
a1/apparent
Bordwell, F. G.; Branca, John C.; Bares, Joseph E.; Filler, Robert; Journal of Organic Chemistry; vol. 53; nb. 4; (1988); p. 780 - 782, View in Reaxys 7 of 16
Comment (Dissociation Exponent)
(pk')pK
Bordwell et al.; Journal of Organic Chemistry; vol. 43; (1978); p. 3095,3096, View in Reaxys 8 of 16
Comment (Dissociation Exponent)
(pk')pk
Lebedeva et al.; Zhurnal Organicheskoi Khimii; vol. 13; (1977); p. 905,829, View in Reaxys 9 of 16
Comment (Dissociation Exponent)
(pk')
Petrov et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 25; (1976); p. 762,763,764; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; vol. 25; (1976); p. 782, View in Reaxys 10 of 16
Comment (Dissociation Exponent)
(k')Saeurestaerke in der Gasphase (Tab.II)
Mc Mahon; Ke Garle; Journal of the American Chemical Society; vol. 98; (1976); p. 3399, View in Reaxys 11 of 16
Comment (Dissociation Exponent)
(pk')pK (DMSO)
Bordwell et al.; Journal of the American Chemical Society; vol. 97; (1975); p. 3226, View in Reaxys
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12 of 16
Comment (Dissociation Exponent)
(pk')pK (Tab. 1)
Lebedeva et al.; Doklady Physical Chemistry; vol. 220-225; (1975); p. 1208, View in Reaxys 13 of 16
Comment (Dissociation Exponent)
(pk')pK(AH)
Zaharieva et al.; Tetrahedron Letters; (1971); p. 1663, View in Reaxys 14 of 16
Comment (Dissociation Exponent)
(pk')pK(AH) (S.433)
Sachariewa et al.; Izvestiya na Otdelenieto za Khimicheski Nauki (Bulgarska Akademiya na Naukite); vol. 4; (1971); p. 427,428, 430, 433, View in Reaxys 15 of 16
Comment (Dissociation Exponent)
(pk')pK(HB)
Martin et al.; Journal fuer Praktische Chemie (Leipzig); vol. 312; (1970); p. 797,799, View in Reaxys 16 of 16
Comment (Dissociation Exponent)
(pk')pK(A)H2O
Martin et al.; Journal fuer Praktische Chemie (Leipzig); vol. 312; (1970); p. 797,799, View in Reaxys Dynamic Viscosity (5) Kind of measure- Dynamic Viscosity Temperature (Dy- References ment (Dynamic [P] namic Viscosity) Viscosity) [°C]
using Ubbelohde viscometer
0.01761
29.99
Syeda, Asra Banu; Koppula, Amara Jyothi; Boodida, Sathyanarayana; Nallani, Satyanarayana; Journal of Chemical and Engineering Data; vol. 55; nb. 3; (2010); p. 1405 - 1410, View in Reaxys
15845
34.99
Bachu, Ranjith Kumar; Patwari, Murali Krishna; Boodida, Sathyanarayana; Tangeda, Savitha Jyostna; Nallani, Satyanarayana; Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 47; nb. 7; (2008); p. 1026 - 1031, View in Reaxys
15.845
34.99
Bachu, Ranjith Kumar; Patwari, Murali Krishna; Syeda, Asra Banu; Boodida, Satyanarayana; Tangeda, Savitha Jyostna; Nallani, Satyanarayana; Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 47; nb. 12; (2008); p. 1809 - 1813, View in Reaxys
0.003312 0.02325
18.2 - 200.1
Friend; Hargreaves; Phil. Mag.; vol. <7> 35; (1944); p. 619,628, View in Reaxys
0.0197
25
Dunstan; Hilditch; Thole; Journal of the Chemical Society; vol. 103; (1913); p. 140, View in Reaxys
Electrical Data (6) 1 of 6
Description (Electrical Data)
Electrical conductivity
Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 46; (1903); p. 174; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 54; (1906); p. 163, View in Reaxys; Schlundt; Chem. Zentralbl.; vol. 72; nb. I; (1901); p. 1135, View in Reaxys; del Rosario; Lind; Journal of Physical Chemistry; vol. 70; (1966); p. 2876,2877 - 2879, View in Reaxys 2 of 6
Description (Electrical Data)
Electrical conductivity
Comment (Electrical Da- bei 25grad. ta) Koch; Journal of the Chemical Society; (1928); p. 272, View in Reaxys 3 of 6
Description (Electrical Data)
Electrical conductivity
Comment (Electrical Da- von Tetramethylammoniumjodid in Benzylcyanid bei 25grad. ta) Walden; Chem. Zentralbl.; vol. 84; nb. II; (1913); p. 331, View in Reaxys
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4 of 6
Description (Electrical Data)
Electrical conductivity
Comment (Electrical Da- von Tetrapropylammoniumjodid in Benzylcyanid bei 25grad. ta) Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 78; (1912); p. 274; Chem. Zentralbl.; vol. 84; nb. II; (1913); p. 209, View in Reaxys 5 of 6
Description (Electrical Data)
Electrical conductivity
Comment (Electrical Da- von Tetraaethylammoniumjodid in Benzylcyanid bei 20-60grad unter 1-3000 kg/cm2 Druck. ta) Schmidt; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 75; (1911); p. 316, View in Reaxys 6 of 6
Description (Electrical Data)
Electrical conductivity
Comment (Electrical Da- von Tetraaethylammoniumjodid in Benzylcyanid bei tiefen Temperaturen. ta) Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 73; (1910); p. 261, View in Reaxys Electrical Moment (7) 1 of 7
Description (Electrical Moment)
Dipole moment
Moment (Electrical Moment) [D]
3.8
Temperature (Electrical Moment) [°C]
25
Method (Electrical Moment)
Dielectric constant (ε)
Solvent (Electrical Moment)
cyclohexane
Deb, Sumit; Bhat, Subray N.; Journal of the Indian Chemical Society; vol. 71; nb. 1; (1994); p. 53 - 56, View in Reaxys 2 of 7
Description (Electrical Moment)
Dipole moment
Moment (Electrical Moment) [D]
3.52
Temperature (Electrical Moment) [°C]
25
Solvent (Electrical Moment)
CCl4
Strobykina, I. Yu.; Vul'fson, S. G.; Kataev, V. E.; Butenko, O. Yu.; Vereshchagin, A. N.; J. Gen. Chem. USSR (Engl. Transl.); vol. 58; nb. 2; (1988); p. 457 - 462,398 - 401, View in Reaxys 3 of 7
Description (Electrical Moment)
Dipole moment
Camail et al.; Journal of Physical Chemistry; vol. 79; (1975); p. 1962,1963-1965, View in Reaxys; Mauret et al.; Bulletin de la Societe Chimique de France; (1976); p. 429, View in Reaxys; Gramstad; Tjessem; Journal of Molecular Structure; vol. 41; (1977); p. 231,233, 235, 236, View in Reaxys 4 of 7
Description (Electrical Moment)
Dipole moment
Comment (Electrical Mo- (Dioxan) 25grad ment) Chin et al.; Journal of the Chemical Society [Section] B: Physical Organic; (1970); p. 304,308, View in Reaxys 5 of 7
Description (Electrical Moment)
Dipole moment
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Comment (Electrical Mo- CCl4 ment) Le Fevre et al.; Journal of the Chemical Society; (1965); p. 3619,3621, View in Reaxys 6 of 7
Description (Electrical Moment)
Dipole moment
Moment (Electrical Moment) [D]
3.47
Method (Electrical Moment)
Dielectric constant (ε)
Solvent (Electrical Moment)
benzene
Smyth; Walls; Journal of the American Chemical Society; vol. 54; (1932); p. 1854,1858, View in Reaxys 7 of 7
Description (Electrical Moment)
Dipole moment
Moment (Electrical Moment) [D]
3.55
Method (Electrical Moment)
Dielectric constant (ε)
Solvent (Electrical Moment)
heptane
Smyth; Walls; Journal of the American Chemical Society; vol. 54; (1932); p. 1854,1858, View in Reaxys Electrical Polarizability (2) Description (Elec- References trical Polarizability) Polarizability
Pogliani, Lionello; New Journal of Chemistry; vol. 27; nb. 6; (2003); p. 919 - 927, View in Reaxys
Optical anisotropy Camail et al.; Journal of Physical Chemistry; vol. 79; (1975); p. 1962,1963-1965, View in Reaxys Electrochemical Behaviour (5) Description (Elec- Comment (Electrochemical Betrochemical Behaviour) haviour) Deprotonation
References
in the presence of Makosza, Mieczyslaw; Chesnokov, Alexey; Tetrahedron; vol. 64; nb. 25; (2008); p. 5925 additives - 5932, View in Reaxys
Electrolytic dissociation / protonation equilibrium
Artamkina, G. A.; Kovalenko, S. V.; Beletskaya, I. P.; Reutov, O. A.; Journal of Organic Chemistry USSR (English Translation); vol. 26; nb. 5.1; (1990); p. 801 - 806; Zhurnal Organicheskoi Khimii; vol. 26; nb. 5; (1990); p. 933 - 939, View in Reaxys; Antipin, Igor S.; Gareyev, Roustam F.; Vedernikov, Andrey N.; Konovalov, Alexander I.; Journal of Physical Organic Chemistry; vol. 7; nb. 4; (1994); p. 181 - 191, View in Reaxys
Thermodynamic parameters for dissociation / protonation
Arnett, Edward M.; Venkatasubramaniam, K. G.; Journal of Organic Chemistry; vol. 48; nb. 10; (1983); p. 1569 - 1578, View in Reaxys
Acidity
Cumming; Kebarle; Canadian Journal of Chemistry; vol. 56; (1978); p. 1,5, View in Reaxys; Lebedeva et al.; Zhurnal Organicheskoi Khimii; vol. 13; (1977); p. 905,829, View in Reaxys
Basicity
Coetzee; McGuire; Journal of Physical Chemistry; vol. 67; (1963); p. 1810, View in Reaxys
Electrochemical Characteristics (1) 1 of 1
Description (Electrochemical Characteristics)
oxidation potential
Bordwell; Zhang, Xian-Man; Alnajjar, Mikhail S.; Journal of the American Chemical Society; vol. 114; nb. 20; (1992); p. 7623 - 7629, View in Reaxys; Bordwell, F. G.; Cheng, Jin-Pei; Harrelson, John A. Jr.; Journal of the American Chemical Society; vol. 110; nb. 4; (1988); p. 1229 - 1231, View in Reaxys; Bordwell, Frederick G.; Zhang, Xian-Man; Filler, Robert; Journal of Organic Chemistry; vol. 58; nb. 22; (1993); p. 6067 - 6071, View in Reaxys Electron Binding (1)
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Description (Elec- References tron Binding) Electron affinity
Mc Mahon; Ke Garle; Journal of the American Chemical Society; vol. 98; (1976); p. 3399, View in Reaxys
Energy Barriers (1) References McMahon; Kebarle; Journal of the American Chemical Society; vol. 96; (1974); p. 5940, View in Reaxys Energy Data (MCS) (2) 1 of 2
Description (Energy Data (MCS))
Enthalpy of solution
Arnett et al.; Journal of the American Chemical Society; vol. 97; (1975); p. 5598, View in Reaxys 2 of 2
Description (Energy Data (MCS))
Enthalpy of mixing
Solvent (Energy Data (MCS))
H2SO4
Hantzsch; Chemische Berichte; vol. 64; (1931); p. 667,674, View in Reaxys Enthalpy of Combustion (2) Enthalpy of Com- Temperature (En- Pressure (Enthal- References bustion [Jmol-1] thalpy of Combus- py of Combustion) tion) [°C] [Torr] -4.28411E+06
25
750.06
-4.2864E+06
Verevkin, Sergey P.; Journal of Chemical Thermodynamics; vol. 32; nb. 2; (2000); p. 207 - 215, View in Reaxys Berthelot; Petit; Annales de Chimie (Cachan, France); vol. <6>18; (1889); p. 112, View in Reaxys
Enthalpy of Formation (3) Enthalpy of ForTemperature (En- Pressure (Enthalmation [Jmol-1] thalpy of Formapy of Formation) tion) [°C] [Torr]
References
135600
25
750.06
Verevkin, Sergey P.; Journal of Chemical Thermodynamics; vol. 32; nb. 2; (2000); p. 207 - 215, View in Reaxys
196200
25
750.06
Verevkin, Sergey P.; Journal of Chemical Thermodynamics; vol. 32; nb. 2; (2000); p. 207 - 215, View in Reaxys Bordwell et al.; Journal of the American Chemical Society; vol. 97; (1975); p. 3226, View in Reaxys
Enthalpy of Vaporization (2) Enthalpy of VaTemperature (En- Pressure (Enthalporization thalpy of Vaporipy of Vaporiza[Jmol-1] zation) [°C] tion) [Torr] 60540
25
750.06
References
Verevkin, Sergey P.; Journal of Chemical Thermodynamics; vol. 32; nb. 2; (2000); p. 207 - 215, View in Reaxys Wright; Recueil des Travaux Chimiques des Pays-Bas; vol. 79; (1960); p. 784,786, View in Reaxys
Further Information (38) Description (Fur- References ther Information) Further information
Crewe et al.; Journal of Chemical Ecology; vol. 5; (1979); p. 861,864, View in Reaxys
Further information
Deschamps et al.; Tetrahedron Letters; (1979); p. 1377,1379, View in Reaxys
Further information
Gramstad; Tjessem; Journal of Molecular Structure; vol. 41; (1977); p. 231,233, 235, 236, View in Reaxys
Further information
Bank; Thomas; Journal of Organic Chemistry; vol. 42; (1977); p. 2858,2864, View in Reaxys
Further information
Juchnovski et al.; Tetrahedron Letters; (1976); p. 1519,1520, View in Reaxys
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Further information
Cornish; Eaborn; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1975); p. 874, View in Reaxys
Further information
Fluck; Steck; Phosphorus and Sulfur and the Related Elements; vol. 1; (1972); p. 283, View in Reaxys
Further information
Das; Wilkie.; Journal of the American Chemical Society; vol. 94; (1972); p. 4555, View in Reaxys
Further information
Hasan; Ghatak; Indian Journal of Physics (1926-1976); vol. 45; (1971); p. 558,561, View in Reaxys
Further information
Hanstein et al.; Journal of the American Chemical Society; vol. 92; (1970); p. 829,831, View in Reaxys
Further information
Buchs; Helvetica Chimica Acta; vol. 53; (1970); p. 2026, View in Reaxys
Further information
Csueroes et al.; Acta Chimica Academiae Scientiarum Hungaricae; vol. 63; (1970); p. 425, View in Reaxys
Further information
Heerma; Dijkstra; Organic Mass Spectrometry; vol. 3; (1970); p. 379,381, View in Reaxys
Further information
Sakurai; Journal of Organic Chemistry; vol. 35; (1970); p. 2808, View in Reaxys
Further information
Csueroes et al.; Acta Chimica Academiae Scientiarum Hungaricae; vol. 60; (1969); p. 177, View in Reaxys
Further information
Viani et al.; Helvetica Chimica Acta; vol. 52; (1969); p. 887,888, View in Reaxys
Further information
Gramstad; Sandstroem; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 25; (1969); p. 31,33, View in Reaxys
Further information
Wallach; Journal of Physical Chemistry; vol. 73; (1969); p. 307, View in Reaxys
Further information
Fraser et al.; Canadian Journal of Chemistry; vol. 47; (1969); p. 2767, View in Reaxys
Further information
Csuroes et al.; Acta Chimica Academiae Scientiarum Hungaricae; vol. 59; (1969); p. 119, View in Reaxys
Further information
Davies; Williams; Transactions of the Faraday Society; vol. 64; (1968); p. 529,543, View in Reaxys
Further information
Shorygin et al.; Russian Journal of Physical Chemistry; vol. 42; (1968); p. 832,834; ; p. 1584, View in Reaxys
Further information
Yukhnovskii; Theoretical and Experimental Chemistry; vol. 3; (1967); p. 232; ; p. 410, View in Reaxys
Further information
Berenfel'd; Kronganz; Theoretical and Experimental Chemistry; vol. 3; (1967); p. 63; ; p. 117, View in Reaxys
Further information
Zaitsev; Organic Reactivity (New York, English Translation); vol. 4; (1967); p. 145,146, View in Reaxys
Further information
Pignataro et al.; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 49; (1966); p. 291, View in Reaxys
Further information
Brownlee et al.; Journal of the American Chemical Society; vol. 88; (1966); p. 1413,1415, 1416, View in Reaxys
Further information
Feytmans-de Medicis; Bruylants; Bulletin des Societes Chimiques Belges; vol. 75; (1966); p. 691,697, 699, View in Reaxys
Further information
Zhdanov; Doklady Chemistry; vol. 162; (1965); p. 603,604; Doklady Akademii Nauk SSSR; vol. 162; (1965); p. 1314, View in Reaxys
Further information
Berenfel'd; Krongauz; Doklady Chemistry; vol. 162; (1965); p. 589,590; Doklady Akademii Nauk SSSR; vol. 162; (1965); p. 1303, View in Reaxys
Further information
Purrello; Gazzetta Chimica Italiana; vol. 95; (1965); p. 1089,1094, 1095, View in Reaxys
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Further information
Markov et al.; Chemische Berichte; vol. 97; (1964); p. 2987,2995, View in Reaxys
Further information
Wahlroos; Saarivirta; Acta Chemica Scandinavica (1947-1973); vol. 18; (1964); p. 2191, View in Reaxys
Further information
Schwetlick et al.; Journal fuer Praktische Chemie (Leipzig); vol. 22; (1963); p. 113,119, View in Reaxys
Further information
Gordon; Griffin; Chemistry and Industry (London, United Kingdom); (1962); p. 1019, View in Reaxys
Further information
Hidalgo; Adv. Mol. Spectrosc., Proc. Int. Meet., 4th; vol. 2; (1962); p. 801, View in Reaxys
Further information
Horner; Guesten; Justus Liebigs Annalen der Chemie; vol. 652; (1962); p. 99,107, View in Reaxys
Further information
Francois; Bulletin de la Societe Chimique de France; (1962); p. 511, View in Reaxys
Heat Capacity Cp (1) Heat Capacity Cp Temperature [Jmol-1K-1] (Heat Capacity Cp) [°C] 168.696
25
Ionization Potential (2) Ionization Poten- Method (Ionizatial [eV] tion Potential) 9.03
spectrographical
References
Verevkin, Sergey P.; Journal of Chemical Thermodynamics; vol. 32; nb. 2; (2000); p. 207 - 215, View in Reaxys References Dolomatov, M. Yu.; Mukaeva, G. R.; Journal of Applied Spectroscopy; vol. 56; nb. 4; (1992); p. 344 - 347; Zhurnal Prikladnoi Spektroskopii; vol. 56; nb. 4; (1992); p. 570 - 574, View in Reaxys Buchs; Helvetica Chimica Acta; vol. 53; (1970); p. 2026, View in Reaxys; Pignataro et al.; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 49; (1966); p. 291, View in Reaxys
Liquid Phase (1) Description (Liquid Phase)
References
Self-association in Lu; Kong, Rita; Chan; Journal of Chemical Physics; vol. 110; nb. 2-12; (1999); p. 3003 - 3008, solution View in Reaxys Liquid/Liquid Systems (MCS) (10) 1 of 10
Description (Liquid/Liquid Systems (MCS))
Distribution between solvent 1 + 2
Partner (Liquid/Liquid Systems (MCS))
poly(vinyl chloride); water
Chen, Zhi; Weber, Stephen G.; Analytical Chemistry; vol. 79; nb. 3; (2007); p. 1043 - 1049, View in Reaxys 2 of 10
Description (Liquid/Liquid Systems (MCS))
Distribution between solvent 1 + 2
Partner (Liquid/Liquid Systems (MCS))
2-nitrophenyl octyl ether
Liu, Xiangli; Bouchard, Geraldine; Mueller, Nathalie; Galland, Alexandra; Girault, Hubert; Testa, Bernard; Carrupt, Pierre-Alain; Helvetica Chimica Acta; vol. 86; nb. 11; (2003); p. 3533 - 3547, View in Reaxys 3 of 10
Description (Liquid/Liquid Systems (MCS))
Distribution between solvent 1 + 2
Comment (Liquid/Liquid Systems (MCS))
equation
Partner (Liquid/Liquid Systems (MCS))
chloroform
Abraham, Michael H.; Platts, James A.; Hersey, Anne; Leo, Albert J.; Taft, Robert W.; Journal of Pharmaceutical Sciences; vol. 88; nb. 7; (1999); p. 670 - 679, View in Reaxys
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4 of 10
Description (Liquid/Liquid Systems (MCS))
Distribution between solvent 1 + 2
Solvent (Liquid/Liquid Systems (MCS))
gas
Temperature (Liquid/Liq- 39.2 uid Systems (MCS)) [°C] Partner (Liquid/Liquid Systems (MCS))
apolane
Weckwerth, Jeff D.; Carr, Peter W.; Vitha, Mark F.; Nasehzadeh, Asad; Analytical Chemistry; vol. 70; nb. 17; (1998); p. 3712 - 3716, View in Reaxys 5 of 10
Description (Liquid/Liquid Systems (MCS))
Distribution between solvent 1 + 2
Solvent (Liquid/Liquid Systems (MCS))
H2O
Partner (Liquid/Liquid Systems (MCS))
1,2-DICHLOROETHANE
Steyaert, Guillaume; Lisa, Guiseppe; Gaillard, Patrick; Boss, Gilles; Reymond, Frederic; Girault, Hubert H.; Carrupt, Pierre-Alain; Testa, Bernard; Journal of the Chemical Society - Faraday Transactions; vol. 93; nb. 3; (1997); p. 401 - 406, View in Reaxys 6 of 10
Description (Liquid/Liquid Systems (MCS))
Distribution between solvent 1 + 2
Partner (Liquid/Liquid Systems (MCS))
dibutyl ether; H2O
Pagliara, Alessandra; Caron, Giulia; Lisa, Giuseppe; Fan, Weizheng; Gaillard, Patrick; Carrupt, Pierre-Alain; Testa, Bernard; Abraham, Michael H.; Journal of the Chemical Society. Perkin Transactions 2; nb. 12; (1997); p. 2639 - 2643, View in Reaxys 7 of 10
Description (Liquid/Liquid Systems (MCS))
Distribution between solvent 1 + 2
Solvent (Liquid/Liquid Systems (MCS))
H2O
Partner (Liquid/Liquid Systems (MCS))
1-Octanol
Kamlet, Mortimer J.; Doherty, Ruth M.; Abraham, Michael H.; Marcus, Yizhak; Taft, Robert W.; Journal of Physical Chemistry; vol. 92; nb. 18; (1988); p. 5244 - 5255, View in Reaxys 8 of 10
Description (Liquid/Liquid Systems (MCS))
Distribution between solvent 1 + 2
Hansch et al.; Journal of Organic Chemistry; vol. 37; (1972); p. 3090, View in Reaxys 9 of 10
Description (Liquid/Liquid Systems (MCS))
Critical solution temperature
Fischer et al.; Pharmazeutische Zentralhalle; vol. 105; (1966); p. 73,74, View in Reaxys 10 of 10
Description (Liquid/Liquid Systems (MCS))
Solution equilibrium
Partner (Liquid/Liquid Systems (MCS))
n-heptane; heptane
Francis; Journal of Physical Chemistry; vol. 58; (1954); p. 1099,1104, View in Reaxys Liquid/Solid Systems (MCS) (1) 1 of 1
Description (Liquid/Solid Solidification diagram Systems (MCS)) Comment (Liquid/Solid Systems (MCS))
(Verbindung 1:2).
Partner (Liquid/Solid Systems (MCS))
dinitrogen tetraoxide
Addison; Sheldon; Journal of the Chemical Society; (1956); p. 1941,1945, View in Reaxys
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Liquid/Vapour Systems (MCS) (5) 1 of 5
Description (Liquid/Vapour Systems (MCS))
Boiling point diagram
Stryjek et al.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques; vol. 27; (1979); p. 127,128,129,132-135, View in Reaxys 2 of 5
Description (Liquid/Vapour Systems (MCS))
Vapour pressure diagram for the mixture
Stryjek et al.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques; vol. 27; (1979); p. 127,128,129,132-135, View in Reaxys 3 of 5
Description (Liquid/Vapour Systems (MCS))
Activity coefficients of the components in the mixture
Monfort et al.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 67; (1970); p. 748,749-753, View in Reaxys 4 of 5
Description (Liquid/Vapour Systems (MCS))
Vapour pressure diagram for the mixture
Temperature (Liquid/Va- 0 pour Systems (MCS)) [°C] Comment (Liquid/Vapour Systems (MCS))
(Assoziation).
Partner (Liquid/Vapour Systems (MCS))
dinitrogen tetraoxide
Addison; Sheldon; Journal of the Chemical Society; (1957); p. 1937,1940, View in Reaxys 5 of 5
Description (Liquid/Vapour Systems (MCS))
Critical data for mixtures
Solvent (Liquid/Vapour Systems (MCS))
ethane-1,2-diol
Fischer; Neupauer; Mikrochemie; vol. 34; (1949); p. 319,322, View in Reaxys Magnetic Susceptibility (2) Magnetic SusReferences ceptibility [10-6cm3mol-1] Francois; Bulletin de la Societe Chimique de France; (1962); p. 511, View in Reaxys -76.9
French; Transactions of the Faraday Society; vol. 50; (1954); p. 1320,1321, View in Reaxys
Mechanical & Physical Properties (MCS) (9) 1 of 9
Description (Mechanical & Physical Properties (MCS))
Volume change on mixing
Temperature (Mechani- 25 cal & Physical Properties (MCS)) [°C] Partner (Mechanical & Physical Properties (MCS))
benzene
Haijun, Wang; Mingzhi, Chen; Guokang, Zheng; Journal of Chemical Thermodynamics; vol. 27; nb. 7; (1995); p. 815 - 820, View in Reaxys 2 of 9
Description (Mechanical & Physical Properties (MCS))
Volume change on mixing
Temperature (Mechani- 25 cal & Physical Properties (MCS)) [°C] Partner (Mechanical & Physical Properties (MCS))
toluene
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Haijun, Wang; Mingzhi, Chen; Guokang, Zheng; Journal of Chemical Thermodynamics; vol. 27; nb. 7; (1995); p. 815 - 820, View in Reaxys 3 of 9
Description (Mechanical & Physical Properties (MCS))
Volume change on mixing
Temperature (Mechani- 25 cal & Physical Properties (MCS)) [°C] Partner (Mechanical & Physical Properties (MCS))
o-xylene
Haijun, Wang; Mingzhi, Chen; Guokang, Zheng; Journal of Chemical Thermodynamics; vol. 27; nb. 7; (1995); p. 815 - 820, View in Reaxys 4 of 9
Description (Mechanical & Physical Properties (MCS))
Volume change on mixing
Temperature (Mechani- 25 cal & Physical Properties (MCS)) [°C] Partner (Mechanical & Physical Properties (MCS))
m-xylene
Haijun, Wang; Mingzhi, Chen; Guokang, Zheng; Journal of Chemical Thermodynamics; vol. 27; nb. 7; (1995); p. 815 - 820, View in Reaxys 5 of 9
Description (Mechanical & Physical Properties (MCS))
Volume change on mixing
Temperature (Mechani- 25 cal & Physical Properties (MCS)) [°C] Partner (Mechanical & Physical Properties (MCS))
para-xylene
Haijun, Wang; Mingzhi, Chen; Guokang, Zheng; Journal of Chemical Thermodynamics; vol. 27; nb. 7; (1995); p. 815 - 820, View in Reaxys 6 of 9
Description (Mechanical & Physical Properties (MCS))
Volume change on mixing
Temperature (Mechani- 25 cal & Physical Properties (MCS)) [°C] Partner (Mechanical & Physical Properties (MCS))
ethylbenzene
Haijun, Wang; Mingzhi, Chen; Guokang, Zheng; Journal of Chemical Thermodynamics; vol. 27; nb. 7; (1995); p. 815 - 820, View in Reaxys 7 of 9
Description (Mechanical & Physical Properties (MCS))
Volume change on mixing
Temperature (Mechani- 25 cal & Physical Properties (MCS)) [°C] Partner (Mechanical & Physical Properties (MCS))
styrene
Haijun, Wang; Mingzhi, Chen; Guokang, Zheng; Journal of Chemical Thermodynamics; vol. 27; nb. 7; (1995); p. 815 - 820, View in Reaxys
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8 of 9
Description (Mechanical & Physical Properties (MCS))
Partial molal volume
Temperature (Mechani- 298.2 - 313.2 cal & Physical Properties (MCS)) [°C] Partner (Mechanical & Physical Properties (MCS))
Bromoform
Joshi, Shrikant S.; Aminabhavi, Tejraj M.; Shukla, Shyam S.; Canadian Journal of Chemistry; vol. 68; (1990); p. 251 - 257, View in Reaxys 9 of 9
Description (Mechanical & Physical Properties (MCS))
Volume change on mixing
Stryjek et al.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques; vol. 27; (1979); p. 127,128,129,132-135, View in Reaxys Mechanical Properties (2) Description (MeReferences chanical Properties) Mechanical properties given
Syeda, Asra Banu; Koppula, Amara Jyothi; Boodida, Sathyanarayana; Nallani, Satyanarayana; Journal of Chemical and Engineering Data; vol. 55; nb. 3; (2010); p. 1405 - 1410, View in Reaxys
Viscosity
Wright; Journal of Chemical and Engineering Data; vol. 6; (1961); p. 454, View in Reaxys; del Rosario; Lind; Journal of Physical Chemistry; vol. 70; (1966); p. 2876,2877 - 2879, View in Reaxys
Optics (3) Description (Optics) Electric birefringence (Kerr effect)
References Camail et al.; Journal of Physical Chemistry; vol. 79; (1975); p. 1962,1963-1965, View in Reaxys; Le Fevre et al.; Journal of the Chemical Society; (1965); p. 3619,3621, View in Reaxys; Strobykina, I. Yu.; Vul'fson, S. G.; Kataev, V. E.; Butenko, O. Yu.; Vereshchagin, A. N.; J. Gen. Chem. USSR (Engl. Transl.); vol. 58; nb. 2; (1988); p. 457 - 462,398 - 401, View in Reaxys
Degree of depola- Strobykina, I. Yu.; Vul'fson, S. G.; Kataev, V. E.; Butenko, O. Yu.; Vereshchagin, A. N.; J. Gen. Chem. rization of RayUSSR (Engl. Transl.); vol. 58; nb. 2; (1988); p. 457 - 462,398 - 401, View in Reaxys leigh scattering Magnetic birefringence (CottonMouton effect)
Cotton; Mouton; Annales de Chimie (Cachan, France); vol. <8> 28; (1913); p. 215, View in Reaxys
Other Thermochemical Data (5) Description (Other Comment (Other Thermochemical Thermochemical Data) Data)
References
Entropy
Bartmess et al.; Journal of the American Chemical Society; vol. 101; (1979); p. 6046,6049,6053, View in Reaxys
Enthalpy
Bartmess et al.; Journal of the American Chemical Society; vol. 101; (1979); p. 6046,6049,6053, View in Reaxys
Thermodynamic properties
Bartmess et al.; Journal of the American Chemical Society; vol. 101; (1979); p. 6046,6049,6053, View in Reaxys
Cryoscopic constant
Witschonke; Analytical Chemistry; vol. 26; (1954); p. 562, View in Reaxys
Heat of combustion at constant volume
1023 kcal/Mol.
Berthelot; Petit; Annales de Chimie (Cachan, France); vol. <6>18; (1889); p. 112, View in Reaxys
Partition octan-1-ol/water (MCS) (2) 1 of 2
log POW
1.6
Temperature (Partition octan-1-ol/water (MCS)) [°C]
25
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Chen, Zhi; Weber, Stephen G.; Analytical Chemistry; vol. 79; nb. 3; (2007); p. 1043 - 1049, View in Reaxys 2 of 2
log POW
1.6
Van Stee; Leonards; Van Loon; Jan Hendriks; Struijs; Brinkman; Maas; Water Research; vol. 36; nb. 18; (2002); p. 4455 - 4470, View in Reaxys Self-diffusion (1) References Wasylishen; Pettitt; Canadian Journal of Chemistry; vol. 57; (1979); p. 1274,1276,1277, View in Reaxys Solubility (MCS) (1) 1 of 1
Solvent (Solubility (MCS))
carbon dioxide
Comment (Solubility (MCS))
Solubility: 1.3E1 weight-percent
Francis, A. W.; Journal of Physical Chemistry; vol. 58; (1954); p. 1099 - 1114, View in Reaxys; vol. C: MVol.C1; 215, page 548 - 568 ; (from Gmelin), View in Reaxys Solution Behaviour (MCS) (6) 1 of 6
Description (Solution Be- Mutual solubility haviour (MCS)) Temperature (Solution Behaviour (MCS)) [°C]
0 - 90
Partner (Solution Behav- water iour (MCS)) Stephenson; Journal of Chemical and Engineering Data; vol. 39; nb. 2; (1994); p. 225 - 227, View in Reaxys 2 of 6
Description (Solution Be- Solubilizing haviour (MCS)) Solvent (Solution Behav- H2O iour (MCS)) Partner (Solution Behav- cycloheptaamylose iour (MCS)) Geresh, Shimona; Giron, Yakir; Gilboa, Ygal; Glaser, Robert; Tetrahedron; vol. 49; nb. 44; (1993); p. 10099 - 10102, View in Reaxys
3 of 6
Description (Solution Be- Miscibility haviour (MCS)) Stryjek et al.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques; vol. 27; (1979); p. 127,128,129,132-135, View in Reaxys
4 of 6
Description (Solution Be- Dissolving capacity haviour (MCS)) Temperature (Solution Behaviour (MCS)) [°C]
25
Partner (Solution Behav- carbon dioxide; CO iour (MCS)) Gjaldbaek et al.; Acta Chemica Scandinavica (1947-1973); vol. 8; (1954); p. 1398,1400, View in Reaxys 5 of 6
Description (Solution Be- Mutual solubility haviour (MCS)) Partner (Solution Behav- liquid CO2 iour (MCS)) Francis; Journal of Physical Chemistry; vol. 58; (1954); p. 1099,1104, View in Reaxys
6 of 6
Description (Solution Be- Dissolving capacity haviour (MCS)) Temperature (Solution Behaviour (MCS)) [°C]
18
Partner (Solution Behav- silver nitrate iour (MCS))
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Koch; Journal of the Chemical Society; (1928); p. 272, View in Reaxys Static Dielectric Constant (5) Static Dielectric Temperature Constant (Static Dielectric Constant) [°C] 18.7
27
References
Grimm; Patrick; Journal of the American Chemical Society; vol. 45; (1923); p. 2799, View in Reaxys; Schmid, R.; Journal of Solution Chemistry; vol. 12; nb. 2; (1983); p. 135 - 152, View in Reaxys Decroocq; Bulletin de la Societe Chimique de France; (1964); p. 127,133, View in Reaxys
19.1
20
Moll; Koll. Beih.; vol. 49; (1939); p. 1,7, View in Reaxys
15
18
Koch; Journal of the Chemical Society; (1928); p. 272, View in Reaxys
8.5
233.5
Grimm; Patrick; Journal of the American Chemical Society; vol. 45; (1923); p. 2799, View in Reaxys
Surface Tension (3) Surface Tension Temperature References [g·s-2] (Surface Tension) [°C] 34.51 - 42.15
19.5 - 86.3
Jeffery; Vogel; Journal of the Chemical Society; (1948); p. 663, View in Reaxys
42.3
20
Moll; Koll. Beih.; vol. 49; (1939); p. 1,7, View in Reaxys
36.75 - 41.4
20 - 60
Turner; Merry; Journal of the Chemical Society; vol. 97; (1910); p. 2076, View in Reaxys; Morgan; Owen; Journal of the American Chemical Society; vol. 33; (1911); p. 1717, View in Reaxys
Transport Phenomena (MCS) (3) 1 of 3
Description (Transport Phenomena (MCS))
Diffusion
Temperature (Transport 25.05 Phenomena (MCS)) [°C] Partner (Transport Phenomena (MCS))
methanol
Lu; Kong, Rita; Chan; Journal of Chemical Physics; vol. 110; nb. 2-12; (1999); p. 3003 - 3008, View in Reaxys 2 of 3
Description (Transport Phenomena (MCS))
Viscosity
Temperature (Transport 298.2 - 313.2 Phenomena (MCS)) [°C] Partner (Transport Phenomena (MCS))
Bromoform
Joshi, Shrikant S.; Aminabhavi, Tejraj M.; Shukla, Shyam S.; Canadian Journal of Chemistry; vol. 68; (1990); p. 251 - 257, View in Reaxys 3 of 3
Description (Transport Phenomena (MCS))
Viscosity
Stryjek et al.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques; vol. 27; (1979); p. 127,128,129,132-135, View in Reaxys Vapour Pressure (1) Vapour Pressure Temperature (Va- References [Torr] pour Pressure) [°C] 0.023139 0.783063
10.05 - 55.05
Verevkin, Sergey P.; Journal of Chemical Thermodynamics; vol. 32; nb. 2; (2000); p. 207 - 215, View in Reaxys
NMR Spectroscopy (76) 1 of 76
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
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Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
100
Location
supporting information
Rai, Ankita; Yadav, Lal Dhar S.; European Journal of Organic Chemistry; nb. 10; (2013); p. 1889 - 1893, View in Reaxys; Shen, Tao; Wang, Teng; Qin, Chong; Jiao, Ning; Angewandte Chemie - International Edition; vol. 52; nb. 26; (2013); p. 6677 - 6680; Angew. Chem.; vol. 125; nb. 26; (2013); p. 6809 - 6612,4, View in Reaxys; Dev, Dharm; Palakurthy, Nani Babu; Kumar, Nitesh; Mandal, Bhubaneswar; Tetrahedron Letters; vol. 54; nb. 33; (2013); p. 4397 - 4400, View in Reaxys; Zou, Tao; Yu, Xiaoqiang; Feng, Xiujuan; Bao, Ming; Chemical Communications; vol. 51; nb. 53; (2015); p. 10714 - 10717, View in Reaxys; Nambo, Masakazu; Yar, Muhammad; Smith, Joel D.; Crudden, Cathleen M.; Organic Letters; vol. 17; nb. 1; (2015); p. 50 - 53, View in Reaxys 2 of 76
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
400
Location
supporting information
Shen, Tao; Wang, Teng; Qin, Chong; Jiao, Ning; Angewandte Chemie - International Edition; vol. 52; nb. 26; (2013); p. 6677 - 6680; Angew. Chem.; vol. 125; nb. 26; (2013); p. 6809 - 6612,4, View in Reaxys; Dev, Dharm; Palakurthy, Nani Babu; Kumar, Nitesh; Mandal, Bhubaneswar; Tetrahedron Letters; vol. 54; nb. 33; (2013); p. 4397 - 4400, View in Reaxys; Zou, Tao; Yu, Xiaoqiang; Feng, Xiujuan; Bao, Ming; Chemical Communications; vol. 51; nb. 53; (2015); p. 10714 - 10717, View in Reaxys; Nambo, Masakazu; Yar, Muhammad; Smith, Joel D.; Crudden, Cathleen M.; Organic Letters; vol. 17; nb. 1; (2015); p. 50 - 53, View in Reaxys 3 of 76
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
500
Location
supporting information
Tang, Hai-Tao; Zhou, Yun-Bing; Zhu, Yu; Sun, Hong-Chao; Lin, Min; Zhan, Zhuang-Ping; Chemistry - An Asian Journal; vol. 9; nb. 5; (2014); p. 1278 - 1281, View in Reaxys; Keita, Massaba; Vandamme, Mathilde; Paquin, JeanFranois; Synthesis (Germany); vol. 47; nb. 23; (2015); p. 3758 - 3766; Art.No: SS-2015-M0394-OP, View in Reaxys 4 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
300
Location
supporting information
Mirjafari, Arsalan; Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah; Khosropour, Ahmad Reza; Tetrahedron Letters; vol. 51; nb. 25; (2010); p. 3274 - 3276, View in Reaxys; Noei, Jalil; Mirjafari, Arsalan; Tetrahedron Letters; vol. 55; nb. 32; (2014); p. 4424 - 4426, View in Reaxys 5 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
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Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
75
Location
supporting information
Mirjafari, Arsalan; Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah; Khosropour, Ahmad Reza; Tetrahedron Letters; vol. 51; nb. 25; (2010); p. 3274 - 3276, View in Reaxys; Noei, Jalil; Mirjafari, Arsalan; Tetrahedron Letters; vol. 55; nb. 32; (2014); p. 4424 - 4426, View in Reaxys 6 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
400
Zhu, Jintao; Song, Guangwei; Yao, Guoxin; Chen, Gang; Synthetic Communications; vol. 42; nb. 13; (2012); p. 1934 - 1940, View in Reaxys; Shimojo, Hiroyuki; Moriyama, Katsuhiko; Togo, Hideo; Synthesis (Germany); vol. 45; nb. 15; (2013); p. 2155 - 2164; Art.No: SS-2013-F0311-OP, View in Reaxys; Yadav, Arvind K.; Srivastava, Vishnu P.; Yadav, Lal Dhar S.; RSC Advances; vol. 4; nb. 8; (2014); p. 4181 - 4186, View in Reaxys 7 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
100
Shimojo, Hiroyuki; Moriyama, Katsuhiko; Togo, Hideo; Synthesis (Germany); vol. 45; nb. 15; (2013); p. 2155 2164; Art.No: SS-2013-F0311-OP, View in Reaxys; Yadav, Arvind K.; Srivastava, Vishnu P.; Yadav, Lal Dhar S.; RSC Advances; vol. 4; nb. 8; (2014); p. 4181 - 4186, View in Reaxys 8 of 76
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
125
Location
supporting information
Tang, Hai-Tao; Zhou, Yun-Bing; Zhu, Yu; Sun, Hong-Chao; Lin, Min; Zhan, Zhuang-Ping; Chemistry - An Asian Journal; vol. 9; nb. 5; (2014); p. 1278 - 1281, View in Reaxys 9 of 76
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
25
Frequency (NMR Spectroscopy) [MHz]
500
Location
supporting information
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Lakshman, Mahesh K.; Singh, Manish K.; Kumar, Mukesh; Chamala, Raghu Ram; Yedulla, Vijayender R.; Wagner, Domenick; Leung, Evan; Yang, Lijia; Matin, Asha; Ahmad, Sadia; Beilstein Journal of Organic Chemistry; vol. 10; (2014); p. 1919 - 1932, View in Reaxys 10 of 76
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
25
Frequency (NMR Spectroscopy) [MHz]
125
Location
supporting information
Lakshman, Mahesh K.; Singh, Manish K.; Kumar, Mukesh; Chamala, Raghu Ram; Yedulla, Vijayender R.; Wagner, Domenick; Leung, Evan; Yang, Lijia; Matin, Asha; Ahmad, Sadia; Beilstein Journal of Organic Chemistry; vol. 10; (2014); p. 1919 - 1932, View in Reaxys 11 of 76
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
26.84
Frequency (NMR Spectroscopy) [MHz]
400
Location
supporting information
Dighe, Shashikant U.; Chowdhury, Deepan; Batra, Sanjay; Advanced Synthesis and Catalysis; vol. 356; nb. 18; (2014); p. 3892 - 3896, View in Reaxys 12 of 76
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
26.84
Frequency (NMR Spectroscopy) [MHz]
100
Location
supporting information
Dighe, Shashikant U.; Chowdhury, Deepan; Batra, Sanjay; Advanced Synthesis and Catalysis; vol. 356; nb. 18; (2014); p. 3892 - 3896, View in Reaxys 13 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- water scopy) Frequency (NMR Spectroscopy) [MHz]
400
Location
supporting information
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Matthessen, Roman; Claes, Laurens; Fransaer, Jan; Binnemans, Koen; De Vos, Dirk E.; European Journal of Organic Chemistry; vol. 2014; nb. 30; (2014); p. 6649 - 6652, View in Reaxys 14 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- water scopy) Frequency (NMR Spectroscopy) [MHz]
75
Location
supporting information
Matthessen, Roman; Claes, Laurens; Fransaer, Jan; Binnemans, Koen; De Vos, Dirk E.; European Journal of Organic Chemistry; vol. 2014; nb. 30; (2014); p. 6649 - 6652, View in Reaxys 15 of 76
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
300
Location
supporting information
Zhu, Chenjie; Ji, Lei; Wei, Yunyang; Synthesis; nb. 18; (2010); p. 3121 - 3125, View in Reaxys; Zhu, Chenjie; Sun, Chengguo; Wei, Yunyang; Synthesis; nb. 24; (2010); p. 4235 - 4241; Art.No: F14610SS, View in Reaxys; Patil, Umakant B.; Shendage, Suresh S.; Nagarkar, Jayashree M.; Synthesis (Germany); vol. 45; nb. 23; (2013); p. 3295 - 3299, View in Reaxys 16 of 76
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
400
Location
supporting information
Ren, Yunlai; Yan, Mengjie; Zhao, Shuang; Sun, Yanpei; Wang, Jianji; Yin, Weiping; Liu, Zhifei; Tetrahedron Letters; vol. 52; nb. 39; (2011); p. 5107 - 5109, View in Reaxys; Rai, Ankita; Yadav, Lal Dhar S.; European Journal of Organic Chemistry; nb. 10; (2013); p. 1889 - 1893, View in Reaxys 17 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Frequency (NMR Spectroscopy) [MHz]
400
Jadhav, Ravindra R.; Akamanchi, Krishnacharya G.; Chemistry Letters; vol. 42; nb. 2; (2013); p. 162 - 164, View in Reaxys 18 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
200.1
Enthaler, Stephan; Inoue, Shigeyoshi; Chemistry - An Asian Journal; vol. 7; nb. 1; (2012); p. 169 - 175, View in Reaxys 19 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
50.3
Enthaler, Stephan; Inoue, Shigeyoshi; Chemistry - An Asian Journal; vol. 7; nb. 1; (2012); p. 169 - 175, View in Reaxys 20 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
25
Frequency (NMR Spectroscopy) [MHz]
200
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 21 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
25
Frequency (NMR Spectroscopy) [MHz]
50.3
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 22 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Sugimoto, Osamu; Harada, Yukihiro; Tanji, Ken-Ichi; Heterocycles; vol. 86; nb. 2; (2012); p. 1583 - 1590, View in Reaxys 23 of 76
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
19.84
Frequency (NMR Spectroscopy) [MHz]
400
Location
supporting information
Shang, Rui; Ji, Dong-Sheng; Chu, Ling; Fu, Yao; Liu, Lei; Angewandte Chemie - International Edition; vol. 50; nb. 19; (2011); p. 4470 - 4474, View in Reaxys 24 of 76
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
19.84
Frequency (NMR Spectroscopy) [MHz]
100
Location
supporting information
Shang, Rui; Ji, Dong-Sheng; Chu, Ling; Fu, Yao; Liu, Lei; Angewandte Chemie - International Edition; vol. 50; nb. 19; (2011); p. 4470 - 4474, View in Reaxys 25 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
200
Location
supporting information
Enthaler, Stephan; Chemistry - A European Journal; vol. 17; nb. 34; (2011); p. 9316 - 9319, View in Reaxys 26 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
50
Location
supporting information
Enthaler, Stephan; Chemistry - A European Journal; vol. 17; nb. 34; (2011); p. 9316 - 9319, View in Reaxys 27 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
60
Deshmukh, Swapnil S.; Huddar, Sameerana N.; Bhalerao, Dinesh S.; Akamanchi, Krishnacharya G.; Arkivoc; vol. 2010; nb. 2; (2010); p. 118 - 126, View in Reaxys; Deshmukh, Swapnil S.; Huddar, Sameerana N.; Jadhav,
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Ravindra R.; Akamanchi, Krishnacharya G.; Tetrahedron Letters; vol. 52; nb. 35; (2011); p. 4533 - 4536, View in Reaxys 28 of 76
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Location
supporting information
Ren, Yunlai; Yan, Mengjie; Zhao, Shuang; Sun, Yanpei; Wang, Jianji; Yin, Weiping; Liu, Zhifei; Tetrahedron Letters; vol. 52; nb. 39; (2011); p. 5107 - 5109, View in Reaxys 29 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
200.1
Location
supporting information
Enthaler, Stephan; European Journal of Organic Chemistry; nb. 25; (2011); p. 4760 - 4763, View in Reaxys 30 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
50.3
Location
supporting information
Enthaler, Stephan; European Journal of Organic Chemistry; nb. 25; (2011); p. 4760 - 4763, View in Reaxys 31 of 76
Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Temperature (NMR Spectroscopy) [°C]
23.94
Frequency (NMR Spectroscopy) [MHz]
500.1
Location
supporting information
Ji, Pengju; Powles, Nicholas T.; Atherton, John H.; Page, Michael I.; Organic Letters; vol. 13; nb. 22; (2011); p. 6118 - 6121, View in Reaxys 32 of 76
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Temperature (NMR Spectroscopy) [°C]
25.24
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Frequency (NMR Spectroscopy) [MHz]
125.8
Location
supporting information
Ji, Pengju; Powles, Nicholas T.; Atherton, John H.; Page, Michael I.; Organic Letters; vol. 13; nb. 22; (2011); p. 6118 - 6121, View in Reaxys 33 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
200
Enthaler, Stephan; Weidauer, Maik; Catalysis Letters; vol. 141; nb. 8; (2011); p. 1079 - 1085, View in Reaxys 34 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
50
Enthaler, Stephan; Weidauer, Maik; Catalysis Letters; vol. 141; nb. 8; (2011); p. 1079 - 1085, View in Reaxys 35 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Frequency (NMR Spectroscopy) [MHz]
500
Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiolah; Mirjafari, Arsalan; Comptes Rendus Chimie; vol. 13; nb. 12; (2010); p. 1468 - 1473, View in Reaxys 36 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
125
Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiolah; Mirjafari, Arsalan; Comptes Rendus Chimie; vol. 13; nb. 12; (2010); p. 1468 - 1473, View in Reaxys 37 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
500
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Drouet, Fleur; Fontaine, Patrice; Masson, Geraldine; Zhu, Jieping; Synthesis; nb. 8; (2009); p. 1370 - 1374; Art.No: T19708SS, View in Reaxys 38 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
75
Drouet, Fleur; Fontaine, Patrice; Masson, Geraldine; Zhu, Jieping; Synthesis; nb. 8; (2009); p. 1370 - 1374; Art.No: T19708SS, View in Reaxys 39 of 76
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
300.1
Location
supporting information
Zhou, Shaolin; Junge, Kathrin; Addis, Daniele; Das, Shoubhik; Beller, Matthias; Organic Letters; vol. 11; nb. 11; (2009); p. 2461 - 2464, View in Reaxys; Zhou, Shaolin; Addis, Daniele; Das, Shoubhik; Junge, Kathrin; Beller, Matthias; Chemical Communications; nb. 32; (2009); p. 4883 - 4885, View in Reaxys 40 of 76
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
75.5
Location
supporting information
Zhou, Shaolin; Junge, Kathrin; Addis, Daniele; Das, Shoubhik; Beller, Matthias; Organic Letters; vol. 11; nb. 11; (2009); p. 2461 - 2464, View in Reaxys; Zhou, Shaolin; Addis, Daniele; Das, Shoubhik; Junge, Kathrin; Beller, Matthias; Chemical Communications; nb. 32; (2009); p. 4883 - 4885, View in Reaxys 41 of 76
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- d(4)-methanol scopy) Frequency (NMR Spectroscopy) [MHz]
400
Location
supporting information
De Noronha, Rita G.; Romao, Carlos C.; Fernandes, Ana C.; Journal of Organic Chemistry; vol. 74; nb. 18; (2009); p. 6960 - 6964, View in Reaxys 42 of 76
Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy)
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Bencivenni, Giorgio; Lanza, Tommaso; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Spagnolo, Piero; Zanardi, Giuseppe; Journal of Organic Chemistry; vol. 73; nb. 12; (2008); p. 4721 - 4724, View in Reaxys 43 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
400
Xie; Kato; Asano; Bioscience, biotechnology, and biochemistry; vol. 65; nb. 12; (2001); p. 2666 - 2672, View in Reaxys; Kangani, Cyrous O.; Day, Billy W.; Kelley, David E.; Tetrahedron Letters; vol. 49; nb. 5; (2008); p. 914 - 918, View in Reaxys; Bencivenni, Giorgio; Lanza, Tommaso; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Spagnolo, Piero; Zanardi, Giuseppe; Journal of Organic Chemistry; vol. 73; nb. 12; (2008); p. 4721 - 4724, View in Reaxys 44 of 76
Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
100
Bencivenni, Giorgio; Lanza, Tommaso; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Spagnolo, Piero; Zanardi, Giuseppe; Journal of Organic Chemistry; vol. 73; nb. 12; (2008); p. 4721 - 4724, View in Reaxys 45 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
100
Xie; Kato; Asano; Bioscience, biotechnology, and biochemistry; vol. 65; nb. 12; (2001); p. 2666 - 2672, View in Reaxys; Kangani, Cyrous O.; Day, Billy W.; Kelley, David E.; Tetrahedron Letters; vol. 49; nb. 5; (2008); p. 914 - 918, View in Reaxys; Bencivenni, Giorgio; Lanza, Tommaso; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Spagnolo, Piero; Zanardi, Giuseppe; Journal of Organic Chemistry; vol. 73; nb. 12; (2008); p. 4721 - 4724, View in Reaxys 46 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
200
Venkat Narsaiah; Nagaiah; Advanced Synthesis and Catalysis; vol. 346; nb. 11; (2004); p. 1271 - 1274, View in Reaxys; Makosza, Mieczyslaw; Chesnokov, Alexey; Tetrahedron; vol. 64; nb. 25; (2008); p. 5925 - 5932, View in Reaxys 47 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy)
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Frequency (NMR Spectroscopy) [MHz]
396
Location
supporting information
Hanada, Shiori; Motoyama, Yukihiro; Nagashima, Hideo; European Journal of Organic Chemistry; nb. 24; (2008); p. 4097 - 4100, View in Reaxys 48 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
99.5
Location
supporting information
Hanada, Shiori; Motoyama, Yukihiro; Nagashima, Hideo; European Journal of Organic Chemistry; nb. 24; (2008); p. 4097 - 4100, View in Reaxys 49 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Hwu, Jih Ru; Tsay, Shwu-Chen; Tetrahedron; vol. 46; nb. 21; (1990); p. 7413 - 7428, View in Reaxys; Schumann, Hans; Speis, Martin; Bosman, W. P.; Smits, J. M. M.; Beurskens, Paul T.; Journal of Organometallic Chemistry; vol. 403; nb. 1.2; (1991); p. 165 - 182, View in Reaxys; Kitagawa; Kawaguchi; Ikiuchi; Chemical and Pharmaceutical Bulletin; vol. 39; nb. 1; (1991); p. 187 - 189, View in Reaxys; Tsay, Shwu-Chen; Gani, Paul; Hwu, Jih Ru; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); nb. 6; (1991); p. 1493 - 1495, View in Reaxys; Polivin, Yu. N.; Vinokurov, V. A.; Makarshin, S. V.; Karakhanov, R. A.; Silin, M. A.; Ageev, E. A.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 39; nb. 7.2; (1990); p. 1528 - 1530; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 7; (1990); p. 1682 - 1684, View in Reaxys; Cox, Russell J.; O'Hagan, David; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); nb. 10; (1991); p. 2537 - 2540, View in Reaxys; Jiricny, Josef; Orere, Daniel M.; Reese, Colin B.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1980); p. 1487 - 1492, View in Reaxys; Tamura, Yasumitsu; Choi, Hong Dae; Mizutani, Masako; Ueda, Yuko; Ishibashi, Hiroyuki; Chemical and Pharmaceutical Bulletin; vol. 30; nb. 10; (1982); p. 3574 - 3579, View in Reaxys; Sugimoto, Osamu; Mori, Miho; Moriya, Keisuke; Tanji, Ken-Ichi; Helvetica Chimica Acta; vol. 84; nb. 5; (2001); p. 1112 - 1118, View in Reaxys; Takahashi, Tatsuya; Sugimoto, Osamu; Koshio, Jiro; Tanji, Kenichi; Heterocycles; vol. 68; nb. 9; (2006); p. 1973 - 1979, View in Reaxys; Campbell, Jacqueline A.; McDougald, Graham; McNab, Hamish; Rees, Lovat V. C.; Tyas, Richard G.; Synthesis; nb. 20; (2007); p. 3179 - 3184, View in Reaxys 50 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CDCl3 scopy) Schumann, Hans; Speis, Martin; Bosman, W. P.; Smits, J. M. M.; Beurskens, Paul T.; Journal of Organometallic Chemistry; vol. 403; nb. 1.2; (1991); p. 165 - 182, View in Reaxys; Patra, Amarenda; Mukhopadhyay, Prabir K.; Journal of the Indian Chemical Society; vol. 60; (1983); p. 265 - 268, View in Reaxys; Campbell, Jacqueline A.; McDougald, Graham; McNab, Hamish; Rees, Lovat V. C.; Tyas, Richard G.; Synthesis; nb. 20; (2007); p. 3179 3184, View in Reaxys 51 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy)
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Frequency (NMR Spectroscopy) [MHz]
500
Fan, Qiu-Hua; Ni, Nan-Ting; Li, Qin; Zhang, Li-He; Ye, Xin-Shan; Organic Letters; vol. 8; nb. 5; (2006); p. 1007 1009, View in Reaxys 52 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
270
Masutani, Kouta; Minowa, Tomofumi; Hagiwara, Yoshiaki; Mukaiyama, Teruaki; Bulletin of the Chemical Society of Japan; vol. 79; nb. 7; (2006); p. 1106 - 1117, View in Reaxys 53 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
68
Masutani, Kouta; Minowa, Tomofumi; Hagiwara, Yoshiaki; Mukaiyama, Teruaki; Bulletin of the Chemical Society of Japan; vol. 79; nb. 7; (2006); p. 1106 - 1117, View in Reaxys 54 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
300
De Luca, Lidia; Giacomelli, Giampaolo; Synlett; nb. 12; (2004); p. 2180 - 2184, View in Reaxys 55 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
75.4
De Luca, Lidia; Giacomelli, Giampaolo; Synlett; nb. 12; (2004); p. 2180 - 2184, View in Reaxys 56 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Blay, Gonzalo; Cardona, Luz; Garcia, Begona; Lahoz, Luisa; Pedro, Jose R.; Tetrahedron; vol. 52; nb. 25; (1996); p. 8611 - 8618, View in Reaxys 57 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
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Blay, Gonzalo; Cardona, Luz; Garcia, Begona; Lahoz, Luisa; Pedro, Jose R.; Tetrahedron; vol. 52; nb. 25; (1996); p. 8611 - 8618, View in Reaxys 58 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- dimethylsulfoxide scopy) Temperature (NMR Spectroscopy) [°C]
25
Abbotto, Alessandro; Bradamante, Silvia; Pagani, Giorgio A.; Journal of Organic Chemistry; vol. 58; nb. 2; (1993); p. 449 - 455, View in Reaxys 59 of 76
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- dimethylsulfoxide scopy) Temperature (NMR Spectroscopy) [°C]
25
Comment (NMR Spectroscopy)
1H-13C.
Abbotto, Alessandro; Bradamante, Silvia; Pagani, Giorgio A.; Journal of Organic Chemistry; vol. 58; nb. 2; (1993); p. 449 - 455, View in Reaxys 60 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- tetrahydrofuran scopy) Temperature (NMR Spectroscopy) [°C]
20
Croisat, Denis; Seyden-Penne, Jacqueline; Strzalko, Tekla; Wartski, Lya; Corset, Jacques; Froment, Francoise; Journal of Organic Chemistry; vol. 57; nb. 24; (1992); p. 6435 - 6447, View in Reaxys 61 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- dimethylsulfoxide scopy) Temperature (NMR Spectroscopy) [°C]
20
Croisat, Denis; Seyden-Penne, Jacqueline; Strzalko, Tekla; Wartski, Lya; Corset, Jacques; Froment, Francoise; Journal of Organic Chemistry; vol. 57; nb. 24; (1992); p. 6435 - 6447, View in Reaxys 62 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- tetrahydrofuran scopy) Crowley, Patrick J.; Leach, Mark R.; Meth-Cohn, Otto; Wakefield, Basil J; Tetrahedron Letters; vol. 27; nb. 25; (1986); p. 2909 - 2912, View in Reaxys 63 of 76
Description (NMR Spec- Chemical shifts troscopy)
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Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- dimethylsulfoxide scopy) Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys 64 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- dimethylsulfoxide scopy) Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys 65 of 76
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- dimethylsulfoxide scopy) Comment (NMR Spectroscopy)
1H-1H.
Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys 66 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CCl4 scopy) Abramovitch, Rudolph A.; Kress, Albert O.; Pillay, Kutten S.; Thompson, W. Marshall; Journal of Organic Chemistry; vol. 50; nb. 12; (1985); p. 2066 - 2073, View in Reaxys 67 of 76
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Bradamante, Silvia; Pagani, Giorgio A.; Journal of Organic Chemistry; vol. 45; nb. 1; (1980); p. 105 - 114, View in Reaxys 68 of 76
Description (NMR Spec- Spin-spin coupling constants troscopy) Wasylishen; Pettitt; Canadian Journal of Chemistry; vol. 57; (1979); p. 1274,1276,1277, View in Reaxys
69 of 76
Description (NMR Spec- Spin-lattice relaxation time (T1) troscopy) Wasylishen; Pettitt; Canadian Journal of Chemistry; vol. 57; (1979); p. 1274,1276,1277, View in Reaxys
70 of 76
Description (NMR Spec- NMR troscopy) Shvartsberg et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 25; (1976); p. 2138; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; vol. 25; (1976); p. 2292, View in Reaxys; Suzuki et al.; Synthesis; (1978); p. 905, View in Reaxys; Bradamante; Pagani; Journal of Organic Chemistry; vol. 44; (1979); p. 4735, View in Reaxys; Albagnac et al.; Bulletin de la Societe Chimique de France; (1974); p. 1469,1470, View in Reaxys; Suzuki et al.; Nippon Kagaku Kaishi; (1979); p. 91,92; Chem.Abstr.; nb. 56711; (1979), View in Reaxys; Heberhold; Brabetz; Chemische Berichte; vol. 103; (1970); p. 3896,3900, View in Reaxys; Glukhikh; Voronkov; Doklady Physical Chemistry; vol. 244-249; (1979); p. 744, View in Reaxys; Leusink et al.; Recueil des Travaux Chimiques des Pays-Bas; vol. 95; (1976); p. 123, View in Reaxys; Shapiro; Journal of Organic
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Chemistry; vol. 41; (1976); p. 3197, View in Reaxys; Belskii et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 26; (1977); p. 1076; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; vol. 26; (1977); p. 1169, View in Reaxys; Wasylishen; Pettitt; Canadian Journal of Chemistry; vol. 57; (1979); p. 1274,1276,1277, View in Reaxys; Mathieu; Bulletin de la Societe Chimique de France; (1971); p. 1540,1541, View in Reaxys; Daugherty et al.; Applied Spectroscopy; vol. 22; (1968); p. 784, View in Reaxys; Witanowski; Tetrahedron; vol. 23; (1967); p. 4299, View in Reaxys 71 of 76
Description (NMR Spec- NMR with shift reagents troscopy) Anderson; Norbury; Journal of the Chemical Society, Chemical Communications; (1975); p. 48, View in Reaxys
72 of 76
Description (NMR Spec- Chemical shifts troscopy) Comment (NMR Spectroscopy)
C-13 chem. shifts
Yonemoto; Journal of Magnetic Resonance (1969-1992); vol. 12; (1973); p. 93, View in Reaxys 73 of 76
Description (NMR Spec- Chemical shifts troscopy) Comment (NMR Spectroscopy)
N-14 chem. shifts
Yonemoto; Journal of Magnetic Resonance (1969-1992); vol. 12; (1973); p. 93, View in Reaxys 74 of 76
Description (NMR Spec- Spectrum troscopy) Fraser et al.; Canadian Journal of Chemistry; vol. 47; (1969); p. 2767, View in Reaxys
75 of 76
Description (NMR Spec- Chemical shifts troscopy) Comment (NMR Spectroscopy)
13C-NMR-Absorption, chemische Verschiebung(π-C, bezogen auf Benzol), Diskussion des Spektrums
Savitsky et al.; Journal of Physical Chemistry; vol. 69; (1965); p. 1425, View in Reaxys 76 of 76
Description (NMR Spec- Chemical shifts troscopy) Comment (NMR Spectroscopy)
in Cyclohexan
Takahashi et al.; Bulletin of the Chemical Society of Japan; vol. 36; (1963); p. 108, View in Reaxys IR Spectroscopy (53) 1 of 53
Description (IR Spectroscopy)
ATR (attenuated total reflectance); Bands
Solvent (IR Spectroscopy)
neat liquid
Temperature (IR Spectroscopy) [°C]
49.84
Bhosale, Ashvini; Yoshida, Hiroshi; Fujita, Shin-Ichiro; Arai, Masahiko; Green Chemistry; vol. 17; nb. 2; (2015); p. 1299 - 1307, View in Reaxys 2 of 53
Description (IR Spectroscopy)
ATR (attenuated total reflectance); Bands
Solvent (IR Spectroscopy)
water
Temperature (IR Spectroscopy) [°C]
49.84
Bhosale, Ashvini; Yoshida, Hiroshi; Fujita, Shin-Ichiro; Arai, Masahiko; Green Chemistry; vol. 17; nb. 2; (2015); p. 1299 - 1307, View in Reaxys 3 of 53
Description (IR Spectroscopy)
ATR (attenuated total reflectance); Bands
Solvent (IR Spectroscopy)
acetic acid
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Temperature (IR Spectroscopy) [°C]
49.84
Bhosale, Ashvini; Yoshida, Hiroshi; Fujita, Shin-Ichiro; Arai, Masahiko; Green Chemistry; vol. 17; nb. 2; (2015); p. 1299 - 1307, View in Reaxys 4 of 53
Description (IR Spectroscopy)
ATR (attenuated total reflectance)
Solvent (IR Spectroscopy)
ethanol
Temperature (IR Spectroscopy) [°C]
49.84
Bhosale, Ashvini; Yoshida, Hiroshi; Fujita, Shin-Ichiro; Arai, Masahiko; Green Chemistry; vol. 17; nb. 2; (2015); p. 1299 - 1307, View in Reaxys 5 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
potassium bromide
Location
supporting information
Mirjafari, Arsalan; Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah; Khosropour, Ahmad Reza; Tetrahedron Letters; vol. 51; nb. 25; (2010); p. 3274 - 3276, View in Reaxys; Zhu, Chenjie; Ji, Lei; Wei, Yunyang; Synthesis; nb. 18; (2010); p. 3121 - 3125, View in Reaxys; Zhu, Chenjie; Sun, Chengguo; Wei, Yunyang; Synthesis; nb. 24; (2010); p. 4235 - 4241; Art.No: F14610SS, View in Reaxys; Noei, Jalil; Mirjafari, Arsalan; Tetrahedron Letters; vol. 55; nb. 32; (2014); p. 4424 - 4426, View in Reaxys 6 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent)
Yadav, Arvind K.; Srivastava, Vishnu P.; Yadav, Lal Dhar S.; RSC Advances; vol. 4; nb. 8; (2014); p. 4181 - 4186, View in Reaxys 7 of 53
Description (IR Spectroscopy)
Bands
Location
supporting information
Comment (IR Spectroscopy)
film
Tang, Hai-Tao; Zhou, Yun-Bing; Zhu, Yu; Sun, Hong-Chao; Lin, Min; Zhan, Zhuang-Ping; Chemistry - An Asian Journal; vol. 9; nb. 5; (2014); p. 1278 - 1281, View in Reaxys 8 of 53
Description (IR Spectroscopy)
Bands
Allerhand; Schleyer; Journal of the American Chemical Society; vol. 85; (1963); p. 866,868, View in Reaxys; Martin et al.; Journal fuer Praktische Chemie (Leipzig); vol. 312; (1970); p. 797,799, View in Reaxys; Suzuki et al.; Nippon Kagaku Kaishi; (1979); p. 91,92; Chem.Abstr.; nb. 56711; (1979), View in Reaxys; Fukunaga et al.; Nippon Kagaku Kaishi; (1977); p. 1379,1381; Chem.Abstr.; nb. 5818; (1978), View in Reaxys; Brutan; Fadeev; Sov. Phys. J. (Engl. Transl.); vol. 21; nb. 8; (1978); p. 148,1102, View in Reaxys; Soltani Rad, Mohammad Navid; Khalafi-Nezhad, Ali; Behrouz, Somayeh; Faghihi, Mohammad Ali; Tetrahedron Letters; vol. 48; nb. 38; (2007); p. 6779 - 6784, View in Reaxys; Rad, Mohammad Navid Soltani; Khalafi-Nezhad, Ali; Behrouz, Somayeh; Amini, Zohreh; Behrouz, Marzieh; Synthetic Communications; vol. 40; nb. 16; (2010); p. 2429 - 2440, View in Reaxys; Dev, Dharm; Palakurthy, Nani Babu; Kumar, Nitesh; Mandal, Bhubaneswar; Tetrahedron Letters; vol. 54; nb. 33; (2013); p. 4397 - 4400, View in Reaxys 9 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent, solid phase)
Jadhav, Ravindra R.; Akamanchi, Krishnacharya G.; Chemistry Letters; vol. 42; nb. 2; (2013); p. 162 - 164, View in Reaxys 10 of 53
Description (IR Spectroscopy)
Bands
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Solvent (IR Spectroscopy)
neat liquid
Location
supporting information
Shen, Tao; Wang, Teng; Qin, Chong; Jiao, Ning; Angewandte Chemie - International Edition; vol. 52; nb. 26; (2013); p. 6677 - 6680; Angew. Chem.; vol. 125; nb. 26; (2013); p. 6809 - 6612,4, View in Reaxys 11 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat liquid
Shimojo, Hiroyuki; Moriyama, Katsuhiko; Togo, Hideo; Synthesis (Germany); vol. 45; nb. 15; (2013); p. 2155 2164; Art.No: SS-2013-F0311-OP, View in Reaxys 12 of 53
Description (IR Spectroscopy)
ATR-FTIR (attenuated total reflectance Fourier transform infrared spectroscopy); Bands
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 13 of 53
Description (IR Spectroscopy)
Bands
Comment (IR Spectroscopy)
neat liquid
Deshmukh, Swapnil S.; Huddar, Sameerana N.; Bhalerao, Dinesh S.; Akamanchi, Krishnacharya G.; Arkivoc; vol. 2010; nb. 2; (2010); p. 118 - 126, View in Reaxys; Deshmukh, Swapnil S.; Huddar, Sameerana N.; Jadhav, Ravindra R.; Akamanchi, Krishnacharya G.; Tetrahedron Letters; vol. 52; nb. 35; (2011); p. 4533 - 4536, View in Reaxys 14 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
nujol
Malki, Fatiha; Touati, Abdelkader; Rahal, Said; Moulay, Saad; Asian Journal of Chemistry; vol. 23; nb. 3; (2011); p. 961 - 967, View in Reaxys 15 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
potassium bromide
Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiolah; Mirjafari, Arsalan; Comptes Rendus Chimie; vol. 13; nb. 12; (2010); p. 1468 - 1473, View in Reaxys 16 of 53
Description (IR Spectroscopy)
Bands
Comment (IR Spectroscopy)
neat (no solvent)
Drouet, Fleur; Fontaine, Patrice; Masson, Geraldine; Zhu, Jieping; Synthesis; nb. 8; (2009); p. 1370 - 1374; Art.No: T19708SS, View in Reaxys 17 of 53
Description (IR Spectroscopy)
Mid IR (MIR); Bands
Location
supporting information
Comment (IR Spectroscopy)
neat liquid
Hanada, Shiori; Motoyama, Yukihiro; Nagashima, Hideo; European Journal of Organic Chemistry; nb. 24; (2008); p. 4097 - 4100, View in Reaxys 18 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
KBr
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Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys; Venkat Narsaiah; Nagaiah; Advanced Synthesis and Catalysis; vol. 346; nb. 11; (2004); p. 1271 - 1274, View in Reaxys; Masutani, Kouta; Minowa, Tomofumi; Hagiwara, Yoshiaki; Mukaiyama, Teruaki; Bulletin of the Chemical Society of Japan; vol. 79; nb. 7; (2006); p. 1106 - 1117, View in Reaxys 19 of 53
Description (IR Spectroscopy)
Spectrum
Solvent (IR Spectroscopy)
dimethylsulfoxide
Comment (IR Spectroscopy)
3089 - 1158 cm**(-1)
Binev, I. G.; Tsenov, J. A.; Velcheva, E. A.; Juchnovski, I. N.; Journal of Molecular Structure; vol. 344; (1995); p. 205 - 216, View in Reaxys 20 of 53
Description (IR Spectroscopy)
Spectrum
Solvent (IR Spectroscopy)
dimethylsulfoxide
Temperature (IR Spectroscopy) [°C]
26
Comment (IR Spectroscopy)
1800 - 1450 cm**(-1)
Corset, Jacques; Froment, Francoise; Lautie, Marie-France; Ratovelomanana, Nicole; Seyden-Penne, Jacqueline; et al.; Journal of the American Chemical Society; vol. 115; nb. 5; (1993); p. 1684 - 1694, View in Reaxys 21 of 53
Description (IR Spectroscopy)
Spectrum
Solvent (IR Spectroscopy)
various solvent(s)
Temperature (IR Spectroscopy) [°C]
26
Comment (IR Spectroscopy)
1800 - 1450 cm**(-1)
Corset, Jacques; Froment, Francoise; Lautie, Marie-France; Ratovelomanana, Nicole; Seyden-Penne, Jacqueline; et al.; Journal of the American Chemical Society; vol. 115; nb. 5; (1993); p. 1684 - 1694, View in Reaxys 22 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
dimethylsulfoxide
Temperature (IR Spectroscopy) [°C]
26
Comment (IR Spectroscopy)
1601 - 1455 cm**(-1)
Corset, Jacques; Froment, Francoise; Lautie, Marie-France; Ratovelomanana, Nicole; Seyden-Penne, Jacqueline; et al.; Journal of the American Chemical Society; vol. 115; nb. 5; (1993); p. 1684 - 1694, View in Reaxys 23 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
various solvent(s)
Temperature (IR Spectroscopy) [°C]
26
Comment (IR Spectroscopy)
1579 - 1484 cm**(-1)
Corset, Jacques; Froment, Francoise; Lautie, Marie-France; Ratovelomanana, Nicole; Seyden-Penne, Jacqueline; et al.; Journal of the American Chemical Society; vol. 115; nb. 5; (1993); p. 1684 - 1694, View in Reaxys
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24 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
KBr
Comment (IR Spectroscopy)
2252 cm**(-1)
Berscheid, Ralf; Nieger, Martin; Voegtle, Fritz; Chemische Berichte; vol. 125; nb. 7; (1992); p. 1687 - 1696, View in Reaxys 25 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
tetrahydrofuran
Comment (IR Spectroscopy)
2249 - 1417 cm**(-1)
Croisat, Denis; Seyden-Penne, Jacqueline; Strzalko, Tekla; Wartski, Lya; Corset, Jacques; Froment, Francoise; Journal of Organic Chemistry; vol. 57; nb. 24; (1992); p. 6435 - 6447, View in Reaxys 26 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
dimethylsulfoxide
Comment (IR Spectroscopy)
2248 - 1455 cm**(-1)
Croisat, Denis; Seyden-Penne, Jacqueline; Strzalko, Tekla; Wartski, Lya; Corset, Jacques; Froment, Francoise; Journal of Organic Chemistry; vol. 57; nb. 24; (1992); p. 6435 - 6447, View in Reaxys 27 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent)
Comment (IR Spectroscopy)
2253 - 940 cm**(-1)
Croisat, Denis; Seyden-Penne, Jacqueline; Strzalko, Tekla; Wartski, Lya; Corset, Jacques; Froment, Francoise; Journal of Organic Chemistry; vol. 57; nb. 24; (1992); p. 6435 - 6447, View in Reaxys 28 of 53
Description (IR Spectroscopy)
Spectrum
Comment (IR Spectroscopy)
3500 - 400 cm**(-1)
Todorovskii, A. T.; Plotkin, S. Ya.; Journal of Structural Chemistry; vol. 32; nb. 1; (1991); p. 55 - 58; Zhurnal Strukturnoi Khimii; vol. 32; nb. 1; (1991); p. 68 - 72, View in Reaxys 29 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent)
Comment (IR Spectroscopy)
3049 - 693 cm**(-1)
Hwu, Jih Ru; Tsay, Shwu-Chen; Tetrahedron; vol. 46; nb. 21; (1990); p. 7413 - 7428, View in Reaxys; Tsay, ShwuChen; Gani, Paul; Hwu, Jih Ru; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); nb. 6; (1991); p. 1493 - 1495, View in Reaxys 30 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
1,2-dichloro-ethane
Comment (IR Spectroscopy)
2246 cm**(-1)
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Schumann, Hans; Speis, Martin; Bosman, W. P.; Smits, J. M. M.; Beurskens, Paul T.; Journal of Organometallic Chemistry; vol. 403; nb. 1.2; (1991); p. 165 - 182, View in Reaxys 31 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent)
Comment (IR Spectroscopy)
2254 cm**(-1)
Kitagawa; Kawaguchi; Ikiuchi; Chemical and Pharmaceutical Bulletin; vol. 39; nb. 1; (1991); p. 187 - 189, View in Reaxys; Kitagawa; Kawaguchi; Inoue; Katayama; Chemical and Pharmaceutical Bulletin; vol. 39; nb. 11; (1991); p. 3030 - 3033, View in Reaxys 32 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent)
Comment (IR Spectroscopy)
3100 - 1418 cm**(-1)
Cox, Russell J.; O'Hagan, David; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); nb. 10; (1991); p. 2537 - 2540, View in Reaxys 33 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent)
Comment (IR Spectroscopy)
2251 cm**(-1)
Polivin, Yu. N.; Vinokurov, V. A.; Makarshin, S. V.; Karakhanov, R. A.; Silin, M. A.; Ageev, E. A.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 39; nb. 7.2; (1990); p. 1528 - 1530; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 7; (1990); p. 1682 - 1684, View in Reaxys 34 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
CHCl3
Comment (IR Spectroscopy)
2255 cm**(-1)
Rao, C. Someswara; Rambabu, M.; Srinivasan, P. S.; Synthetic Communications; vol. 19; nb. 7,8; (1989); p. 1431 - 1436, View in Reaxys 35 of 53
Description (IR Spectroscopy)
Spectrum
Solvent (IR Spectroscopy)
CCl4
Comment (IR Spectroscopy)
2300 - 2200 cm**(-1)
Strobykina, I. Yu.; Vul'fson, S. G.; Kataev, V. E.; Butenko, O. Yu.; Vereshchagin, A. N.; J. Gen. Chem. USSR (Engl. Transl.); vol. 58; nb. 2; (1988); p. 457 - 462,398 - 401, View in Reaxys 36 of 53
Description (IR Spectroscopy)
Spectrum
Solvent (IR Spectroscopy)
neat (no solvent)
Comment (IR Spectroscopy)
2300 - 2200 cm**(-1)
Strobykina, I. Yu.; Vul'fson, S. G.; Kataev, V. E.; Butenko, O. Yu.; Vereshchagin, A. N.; J. Gen. Chem. USSR (Engl. Transl.); vol. 58; nb. 2; (1988); p. 457 - 462,398 - 401, View in Reaxys
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37 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
CHCl3
Comment (IR Spectroscopy)
2230 cm**(-1)
Rao, C. Someswara; Rambabu, M.; Srinivasan, P. S.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 26; nb. 1-12; (1987); p. 407 - 411, View in Reaxys 38 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
KBr
Comment (IR Spectroscopy)
2240 cm**(-1)
Liguori, Angelo; Sindona, Giovanni; Romeo, Giovanni; Uccella, Nicola; Synthesis; nb. 2; (1987); p. 168, View in Reaxys 39 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent)
Comment (IR Spectroscopy)
2250 cm**(-1)
Abramovitch, Rudolph A.; Kress, Albert O.; Pillay, Kutten S.; Thompson, W. Marshall; Journal of Organic Chemistry; vol. 50; nb. 12; (1985); p. 2066 - 2073, View in Reaxys 40 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
CHCl3
Comment (IR Spectroscopy)
2260 cm**(-1)
Tamura, Yasumitsu; Choi, Hong Dae; Mizutani, Masako; Ueda, Yuko; Ishibashi, Hiroyuki; Chemical and Pharmaceutical Bulletin; vol. 30; nb. 10; (1982); p. 3574 - 3579, View in Reaxys 41 of 53
Description (IR Spectroscopy)
Spectrum
Solvent (IR Spectroscopy)
neat (no solvent)
Temperature (IR Spectroscopy) [°C]
30
Comment (IR Spectroscopy)
2200 - 2300 cm**(-1)
Brutan, E. G.; Fadeev, Yu. A.; Russian Journal of Physical Chemistry; vol. 54; nb. 4; (1980); p. 586 - 587; Zhurnal Fizicheskoi Khimii; vol. 54; nb. 4; (1980); p. 1025 - 1027, View in Reaxys 42 of 53
Description (IR Spectroscopy)
Spectrum
Solvent (IR Spectroscopy)
gas
Temperature (IR Spectroscopy) [°C]
250
Comment (IR Spectroscopy)
2200 - 2300 cm**(-1)
Brutan, E. G.; Fadeev, Yu. A.; Russian Journal of Physical Chemistry; vol. 54; nb. 4; (1980); p. 586 - 587; Zhurnal Fizicheskoi Khimii; vol. 54; nb. 4; (1980); p. 1025 - 1027, View in Reaxys
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43 of 53
Description (IR Spectroscopy)
Spectrum
Solvent (IR Spectroscopy)
solid
Temperature (IR Spectroscopy) [°C]
-150
Comment (IR Spectroscopy)
2200 - 2300 cm**(-1)
Brutan, E. G.; Fadeev, Yu. A.; Russian Journal of Physical Chemistry; vol. 54; nb. 4; (1980); p. 586 - 587; Zhurnal Fizicheskoi Khimii; vol. 54; nb. 4; (1980); p. 1025 - 1027, View in Reaxys 44 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
CHCl3
Comment (IR Spectroscopy)
2240 cm**(-1)
Tamura, Yasumitsu; Adachi, Masahiro; Kawasaki, Tomomi; Yasuda, Hitoshi; Kita, Yasuyuki; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1980); p. 1132 - 1135, View in Reaxys 45 of 53
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent)
Comment (IR Spectroscopy)
2255 cm**(-1)
Jiricny, Josef; Orere, Daniel M.; Reese, Colin B.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1980); p. 1487 - 1492, View in Reaxys 46 of 53
Description (IR Spectroscopy)
IR
Brownlee,R.T.C. et al.; Journal of the American Chemical Society; vol. 90; nb. 7; (1968); p. 1757 - 1767, View in Reaxys; Kanaoka et al.; Chemical and Pharmaceutical Bulletin; vol. 18; (1970); p. 397,398, View in Reaxys; Ahmad; Synthesis; (1976); p. 418, View in Reaxys; Joeckle et al.; Zeitschrift fuer Naturforschung, Teil A: Astrophysik, Physik und Physikalische Chemie; vol. 21; (1966); p. 1906,1909-1910, 1912-1913, View in Reaxys; Shvartsberg et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 25; (1976); p. 2138; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; vol. 25; (1976); p. 2292, View in Reaxys; Barakat et al.; Transactions of the Faraday Society; vol. 59; (1963); p. 1773, View in Reaxys; Suzuki et al.; Synthesis; (1978); p. 905, View in Reaxys; Pala; Bruzzese; Annali di Chimica (Rome, Italy); vol. 54; (1964); p. 349,361, View in Reaxys; Augdahl; Klaboe; Spectrochimica Acta; vol. 19; (1963); p. 1665,1669, View in Reaxys; Heberhold; Brabetz; Chemische Berichte; vol. 103; (1970); p. 3896,3900, View in Reaxys; Castro; Selve; Bulletin de la Societe Chimique de France; (1971); p. 2296, View in Reaxys; Chattopadhyay; Indian Journal of Physics (1926-1976); vol. 41; (1967); p. 759,764, View in Reaxys; Uson et al.; Journal of Organometallic Chemistry; vol. 179; (1979); p. 65,70, View in Reaxys; Binew et al.; Izvestiya na Otdelenieto za Khimicheski Nauki (Bulgarska Akademiya na Naukite); vol. 10; (1977); p. 76,79, View in Reaxys 47 of 53
Description (IR Spectroscopy)
Spectrum
Laurence; Wojtkowiak; Bulletin de la Societe Chimique de France; (1971); p. 3833,3834, View in Reaxys; Knizek et al.; Collection of Czechoslovak Chemical Communications; vol. 29; (1964); p. 2935,2939, View in Reaxys; Mannion; Wang; Spectrochimica Acta; vol. 20; (1964); p. 45,47, View in Reaxys 48 of 53
Description (IR Spectroscopy)
Intensity of IR bands
Brownlee et al.; Journal of Physical Chemistry; vol. 73; (1969); p. 557,559, View in Reaxys; Schmidt; Brova; Berichte der Bunsen-Gesellschaft; vol. 75; (1971); p. 1334,1336,1338,1342, View in Reaxys; Schmid; Bellanato; Zeitschrift fuer Elektrochemie; vol. 65; (1961); p. 362, View in Reaxys; Schmid; Zeitschrift fuer Elektrochemie; vol. 66; (1962); p. 53, View in Reaxys 49 of 53
Description (IR Spectroscopy)
Intensity of IR bands
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Comment (IR Spectroscopy)
Intensitaet der CN-Valenzschwingungsbande (CCl4 und CHCl3).
Jesson; Thompson; Spectrochimica Acta; vol. 13; (1959); p. 217,218, View in Reaxys 50 of 53
Description (IR Spectroscopy)
Intensity of IR bands
Comment (IR Spectroscopy)
Intensitaet der CH-Valenzschwingungsbanden (CCl4).
Flett; Journal de Physique et le Radium; vol. <8> 15; (1954); p. 388, View in Reaxys 51 of 53
Description (IR Spectroscopy)
Spectrum
Comment (IR Spectroscopy)
10000 - 6250 cm**(-1)
Suhrmann; Klein; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. <B> 50; (1941); p. 35; Atti X. Congr. int. Chim. Rom 1938; vol. Bd.; p. 2 S. 525, 529, View in Reaxys 52 of 53
Description (IR Spectroscopy)
Spectrum
Comment (IR Spectroscopy)
3704 - 1961 cm**(-1)
Gordy; Williams; Journal of Chemical Physics; vol. 3; (1935); p. 666; Journal of Chemical Physics; vol. 4; (1936); p. 86, View in Reaxys 53 of 53
Description (IR Spectroscopy)
Spectrum
Comment (IR Spectroscopy)
10000 - 833 cm**(-1)
Bell; Journal of the American Chemical Society; vol. 57; (1935); p. 1024, View in Reaxys Mass Spectrometry (30) Description (Mass Location Spectrometry)
Comment (Mass Spectrometry)
References
high resolution supporting informass spectrome- mation try (HRMS); spectrum
Nambo, Masakazu; Yar, Muhammad; Smith, Joel D.; Crudden, Cathleen M.; Organic Letters; vol. 17; nb. 1; (2015); p. 50 - 53, View in Reaxys
gas chromatography mass spectrometry (GCMS); electron impact (EI); spectrum
Nielsen, Lasse Janniche; Moller, Birger Lindberg; Phytochemistry (Elsevier); vol. 120; (2015); p. 3 - 18, View in Reaxys
CID (collision-induced dissociation); spectrum
supporting information
Streuff, Jan; Feurer, Markus; Frey, Georg; Steffani, Alberto; Kacprzak, Sylwia; Weweler, Jens; Leijendekker, Leonardus H.; Kratzert, Daniel; Plattner, Dietmar A.; Journal of the American Chemical Society; vol. 137; nb. 45; (2015); p. 14396 - 14405, View in Reaxys
high resolution mass spectrometry (HRMS); electron impact (EI); spectrum
Yadav, Arvind K.; Srivastava, Vishnu P.; Yadav, Lal Dhar S.; RSC Advances; vol. 4; nb. 8; (2014); p. 4181 - 4186, View in Reaxys
gas chromatogra- supporting inforphy mass specmation trometry (GCMS); spectrum
Patil, Umakant B.; Shendage, Suresh S.; Nagarkar, Jayashree M.; Synthesis (Germany); vol. 45; nb. 23; (2013); p. 3295 - 3299, View in Reaxys; Matthessen, Roman; Claes, Laurens; Fransaer, Jan; Binnemans, Koen; De Vos, Dirk E.; European Journal of Organic Chemistry; vol. 2014; nb. 30; (2014); p. 6649 - 6652, View in Reaxys
high resolution mass spectrometry (HRMS); elec-
Tang, Hai-Tao; Zhou, Yun-Bing; Zhu, Yu; Sun, Hong-Chao; Lin, Min; Zhan, Zhuang-Ping; Chemistry - An Asian Journal; vol. 9; nb. 5; (2014); p. 1278 - 1281, View in Reaxys
supporting information
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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trospray ionisation (ESI); spectrum gas chromatography mass spectrometry (GCMS); spectrum
Palencia, Gemma; Ibargoitia, Maria Luisa; Fresno, Maria; Sopelana, Patricia; Guillen, Maria Dolores; Molecules; vol. 19; nb. 6; (2014); p. 7937 - 7958, View in Reaxys
electron impact (EI); spectrum
supporting information
Rai, Ankita; Yadav, Lal Dhar S.; European Journal of Organic Chemistry; nb. 10; (2013); p. 1889 - 1893, View in Reaxys
spectrum
supporting information
Shen, Tao; Wang, Teng; Qin, Chong; Jiao, Ning; Angewandte Chemie - International Edition; vol. 52; nb. 26; (2013); p. 6677 - 6680; Angew. Chem.; vol. 125; nb. 26; (2013); p. 6809 - 6612,4, View in Reaxys; Dev, Dharm; Palakurthy, Nani Babu; Kumar, Nitesh; Mandal, Bhubaneswar; Tetrahedron Letters; vol. 54; nb. 33; (2013); p. 4397 - 4400, View in Reaxys
GCMS (Gas chro- supporting informatography mass mation spectrometry); Spectrum
Zhu, Chenjie; Ji, Lei; Wei, Yunyang; Synthesis; nb. 18; (2010); p. 3121 - 3125, View in Reaxys; Zhu, Chenjie; Sun, Chengguo; Wei, Yunyang; Synthesis; nb. 24; (2010); p. 4235 - 4241; Art.No: F14610SS, View in Reaxys; Rajesh, Kunjanpillai; Dudle, Balz; Blacque, Olivier; Berke, Heinz; Advanced Synthesis and Catalysis; vol. 353; nb. 9; (2011); p. 1479 - 1484, View in Reaxys; Ren, Yunlai; Yan, Mengjie; Zhao, Shuang; Sun, Yanpei; Wang, Jianji; Yin, Weiping; Liu, Zhifei; Tetrahedron Letters; vol. 52; nb. 39; (2011); p. 5107 - 5109, View in Reaxys; Ren, Yunlai; Dong, Chuanhua; Zhao, Shuang; Sun, Yanpei; Wang, Jianji; Ma, Junying; Hou, Chaodong; Tetrahedron Letters; vol. 53; nb. 23; (2012); p. 2825 - 2827, View in Reaxys
EI (Electron impact); GCMS (Gas chromatography mass spectrometry); Spectrum
Enthaler, Stephan; Inoue, Shigeyoshi; Chemistry - An Asian Journal; vol. 7; nb. 1; (2012); p. 169 - 175, View in Reaxys; Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys
Spectrum
Zhu, Jintao; Song, Guangwei; Yao, Guoxin; Chen, Gang; Synthetic Communications; vol. 42; nb. 13; (2012); p. 1934 - 1940, View in Reaxys
ESI (Electrospray ionisation); Spectrum
Drouet, Fleur; Fontaine, Patrice; Masson, Geraldine; Zhu, Jieping; Synthesis; nb. 8; (2009); p. 1370 - 1374; Art.No: T19708SS, View in Reaxys; Enthaler, Stephan; Weidauer, Maik; Catalysis Letters; vol. 141; nb. 8; (2011); p. 1079 - 1085, View in Reaxys
HRMS (High reso- supporting inforlution mass spec- mation trometry); Spectrum
Shang, Rui; Ji, Dong-Sheng; Chu, Ling; Fu, Yao; Liu, Lei; Angewandte Chemie - International Edition; vol. 50; nb. 19; (2011); p. 4470 - 4474, View in Reaxys
EI (Electron impact); Spectrum
supporting information
Zhou, Shaolin; Addis, Daniele; Das, Shoubhik; Junge, Kathrin; Beller, Matthias; Chemical Communications; nb. 32; (2009); p. 4883 - 4885, View in Reaxys; Yang, Yingying; Tang, Shan; Liu, Chao; Zhang, Huimin; Sun, Zhexun; Lei, Aiwen; Organic and Biomolecular Chemistry; vol. 9; nb. 15; (2011); p. 5343 - 5345, View in Reaxys
ESI (Electrospray ionisation); Spectrum
supporting information
Enthaler, Stephan; Chemistry - A European Journal; vol. 17; nb. 34; (2011); p. 9316 - 9319, View in Reaxys; Enthaler, Stephan; European Journal of Organic Chemistry; nb. 25; (2011); p. 4760 - 4763, View in Reaxys
Photoionization; TOFMS (Time of flight mass spectrum); Spectrum
Xie, Mingfeng; Zhou, Zhongyue; Wang, Zhandong; Chen, Dongna; Qi, Fei; International Journal of Mass Spectrometry; vol. 303; nb. 2-3; (2011); p. 137 - 146, View in Reaxys
ESI (Electrospray ionisation) EI (Electron impact); Spectrum
supporting information
mol peak
Sanki, Aditya K.; Talan, Rommel S.; Sucheck, Steven J.; Journal of Organic Chemistry; vol. 74; nb. 5; (2009); p. 1886 - 1896, View in Reaxys
mol peak
Zhou, Shaolin; Junge, Kathrin; Addis, Daniele; Das, Shoubhik; Beller, Matthias; Organic Letters; vol. 11; nb. 11; (2009); p. 2461 2464, View in Reaxys
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HRMS (High reso- supporting inforlution mass spec- mation trometry); ESI (Electrospray ionisation)
mol peak
Zhou, Shaolin; Junge, Kathrin; Addis, Daniele; Das, Shoubhik; Beller, Matthias; Organic Letters; vol. 11; nb. 11; (2009); p. 2461 2464, View in Reaxys
HRMS (High reso- supporting inforlution mass spec- mation trometry); EI (Electron impact); Spectrum
Zhou, Shaolin; Addis, Daniele; Das, Shoubhik; Junge, Kathrin; Beller, Matthias; Chemical Communications; nb. 32; (2009); p. 4883 - 4885, View in Reaxys
GCMS (Gas chromatography mass spectrometry); EI (Electron impact); Spectrum
Fernandes, Fatima; De Pinho, Paula Guedes; Valentao, Patricia; Pereira, Jose A.; Andrade, Paula B.; Journal of Agricultural and Food Chemistry; vol. 57; nb. 15; (2009); p. 6795 - 6802, View in Reaxys
spectrum; electron impact (EI)
Venkat Narsaiah; Nagaiah; Advanced Synthesis and Catalysis; vol. 346; nb. 11; (2004); p. 1271 - 1274, View in Reaxys; Kangani, Cyrous O.; Day, Billy W.; Kelley, David E.; Tetrahedron Letters; vol. 49; nb. 5; (2008); p. 914 - 918, View in Reaxys
spectrum
Mills, Frank D.; Brown, Richard T.; Synthetic Communications; vol. 20; nb. 20; (1990); p. 3131 - 3135, View in Reaxys; Kikuchi, Tohru; Kadota, Shigetoshi; Suehara, Hisashi; Nishi, Arasuke; Tsubaki, Keisuke; et al.; Chemical & Pharmaceutical Bulletin; vol. 31; nb. 2; (1983); p. 659 - 663, View in Reaxys; Gil, Victor; MacLeod, Alexander J.; Phytochemistry (Elsevier); vol. 19; (1980); p. 227 - 232, View in Reaxys; Blay, Gonzalo; Cardona, Luz; Garcia, Begona; Lahoz, Luisa; Pedro, Jose R.; Tetrahedron; vol. 52; nb. 25; (1996); p. 8611 - 8618, View in Reaxys
spectrum; electron impact (EI)
MIKE (mass ion kinetic energy); metastable ions
Selva, Antonio; Auricchio, Sergio; Truscello, Ada M.; Organic Mass Spectrometry; vol. 29; nb. 5; (1994); p. 232 - 237, View in Reaxys
collisional activation
Selva, Antonio; Auricchio, Sergio; Truscello, Ada M.; Organic Mass Spectrometry; vol. 29; nb. 5; (1994); p. 232 - 237, View in Reaxys
electron impact (EI)
Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys MIKE (mass ion kinetic energy)
electron impact (EI); spectrum
Molenaar-Langeveld, Tineke A.; Fokkens, Roel H.; Ingemann, Steen; Nibbering, Nico M.M.; Organic Mass Spectrometry; vol. 27; nb. 4; (1992); p. 390 - 397, View in Reaxys Polivin, Yu. N.; Vinokurov, V. A.; Makarshin, S. V.; Karakhanov, R. A.; Silin, M. A.; Ageev, E. A.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 39; nb. 7.2; (1990); p. 1528 - 1530; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 7; (1990); p. 1682 - 1684, View in Reaxys Yamanishi; Shimojo; Ukita; et al.; Agricultural and Biological Chemistry; vol. 37; nb. 9; (1973); p. 2147 - 2153, View in Reaxys; Crewe et al.; Journal of Chemical Ecology; vol. 5; (1979); p. 861,864, View in Reaxys; Pereira et al.; Biochimica et Biophysica Acta; vol. 313; (1973); p. 170,172,178, View in Reaxys; Molenaer-Langeveld et al.; Organic Mass Spectrometry; vol. 5; (1971); p. 725,728, View in Reaxys; Bank; Thomas; Journal of Organic Chemistry; vol. 42; (1977); p. 2858,2864, View in Reaxys; Heerma; Dijkstra; Organic Mass Spectrometry; vol. 3; (1970); p. 379,381, View in Reaxys; Nibbering; deBoer; Tetrahedron; vol. 24; (1968); p. 1435, View in Reaxys
UV/VIS Spectroscopy (15) 1 of 15
Solvent (UV/VIS Spectroscopy)
ethanol
Absorption Maxima (UV/ 257.7 VIS) [nm]
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Ext./Abs. Coefficient [l·mol-1cm-1]
240.9
Malki, Fatiha; Touati, Abdelkader; Rahal, Said; Moulay, Saad; Asian Journal of Chemistry; vol. 23; nb. 3; (2011); p. 961 - 967, View in Reaxys 2 of 15
Description (UV/VIS Spectroscopy)
Spectrum
Solvent (UV/VIS Spectroscopy)
ethanol
Comment (UV/VIS Spectroscopy)
230 - 285 nm
Tetenchuk, K. P.; Belousova, G. M.; Proshchina, N. N.; Lyustik, A. A.; Pharmaceutical Chemistry Journal; vol. 15; nb. 12; (1981); p. 901 - 903; Khimiko-Farmatsevticheskii Zhurnal; vol. 15; nb. 12; (1981); p. 99 - 102, View in Reaxys 3 of 15
Description (UV/VIS Spectroscopy)
Absorption maxima
Reichardt; Justus Liebigs Annalen der Chemie; vol. 752; (1971); p. 64, View in Reaxys; Lebedeva et al.; Zhurnal Organicheskoi Khimii; vol. 13; (1977); p. 905,829, View in Reaxys; Shorygin et al.; Russian Journal of Physical Chemistry; vol. 42; (1968); p. 832,834; ; p. 1584, View in Reaxys; Petrov et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 25; (1976); p. 762,763,764; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; vol. 25; (1976); p. 782, View in Reaxys; Sachariewa et al.; Izvestiya na Otdelenieto za Khimicheski Nauki (Bulgarska Akademiya na Naukite); vol. 4; (1971); p. 427,428, 430, 433, View in Reaxys 4 of 15
Description (UV/VIS Spectroscopy)
UV/VIS
Schmidt; Brova; Berichte der Bunsen-Gesellschaft; vol. 75; (1971); p. 1334,1336,1338,1342, View in Reaxys; Lebedeva et al.; Doklady Physical Chemistry; vol. 220-225; (1975); p. 1208, View in Reaxys 5 of 15
Description (UV/VIS Spectroscopy)
Spectrum
Jerumanis,S.; Bruylants,A.; Bulletin des Societes Chimiques Belges; vol. 69; (1960); p. 312 - 322, View in Reaxys; Reichardt; Justus Liebigs Annalen der Chemie; vol. 752; (1971); p. 64, View in Reaxys 6 of 15
Description (UV/VIS Spectroscopy)
Oscillator strength
Berenfel'd; Kronganz; Bulletin of the Academy of Sciences of the USSR, Physical Series (English Translation); vol. 32; (1968); p. 1463; ; p. 1575, View in Reaxys 7 of 15
Description (UV/VIS Spectroscopy)
Spectrum
Solvent (UV/VIS Spectroscopy)
ethanol; sodium ethanolate / ethanol
Comment (UV/VIS Spectroscopy)
200 - 350 nm
Segers; Bruylants; Helvetica Chimica Acta; vol. 40; (1957); p. 561,567, View in Reaxys; Braye et al.; Chimie et Industrie (Paris); vol. 68; (1952); p. 351,354, View in Reaxys 8 of 15
Description (UV/VIS Spectroscopy)
Spectrum
Comment (UV/VIS Spectroscopy)
243.9 - 277.78 nm; von festem und fluessigem Phenylacetonitril bei -180grad bzw. bei 32grad.
Sen; Indian Journal of Physics (1926-1976); vol. 30; (1956); p. 321,325, View in Reaxys 9 of 15
Description (UV/VIS Spectroscopy)
Spectrum
Comment (UV/VIS Spectroscopy)
Dampf.
Imanishi; Kanda; Journal of the Scientific Research Institute, Tokyo; vol. 43; (1949); p. 199,210, View in Reaxys 10 of 15
Description (UV/VIS Spectroscopy)
Spectrum
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Solvent (UV/VIS Spectroscopy)
hexane
Mohler; Polya; Helvetica Chimica Acta; vol. 19; (1936); p. 283,286, 1222, 1234, 1239, 1240, View in Reaxys 11 of 15
Description (UV/VIS Spectroscopy)
Absorption maxima
Comment (UV/VIS Spectroscopy)
Absorptionskante der dampffoermigen und der fluessigen Verbindung.
Hukumoto; Journal of Chemical Physics; vol. 3; (1935); p. 165; Sci. Rep. Tohoku Univ., Ser. 1: Phys., Chem., Astron.; vol. <1> 23; (1934); p. 846; Chem. Zentralbl.; vol. 107; nb. I; (1936); p. 4534, View in Reaxys 12 of 15
Description (UV/VIS Spectroscopy)
Spectrum
Solvent (UV/VIS Spectroscopy)
ethanol
Ramart-Lucas; Hoch; Annales de Chimie (Cachan, France); vol. <10> 17; (1932); p. 207,244; Bulletin de la Societe Chimique de France; vol. <5> 2; (1935); p. 1376,1377, View in Reaxys 13 of 15
Description (UV/VIS Spectroscopy)
Spectrum
Comment (UV/VIS Spectroscopy)
des Dampfes.
Purvis; Journal of the Chemical Society; vol. 107; (1915); p. 505, View in Reaxys 14 of 15
Description (UV/VIS Spectroscopy)
Spectrum
Comment (UV/VIS Spectroscopy)
des fluessigen Benzylcyanids.
Baly; Tryhorn; Journal of the Chemical Society; vol. 107; (1915); p. 1067, View in Reaxys 15 of 15
Description (UV/VIS Spectroscopy)
Spectrum
Solvent (UV/VIS Spectroscopy)
ethanol
Comment (UV/VIS Spectroscopy)
der neutralen und alkal. Loesung.
Hewitt; Pope; Willett; Journal of the Chemical Society; vol. 101; (1912); p. 1772, View in Reaxys NQR Spectroscopy (2) Description (NQR Nucleus (NQR Spectroscopy) Spectroscopy)
References
Nuclear quadru14N pole coupling constants
Liu, Xiao-Zhou; Bohn, Robert K.; Sorenson, Sterling A.; True, Nancy S.; Journal of Molecular Structure; vol. 243; nb. 3; (1991); p. 325 - 339, View in Reaxys
Nuclear quadrupole resonance
Colligiani et al.; Molecular Physics; vol. 14; (1968); p. 89,90, View in Reaxys
Rotational Spectroscopy (4) Description (Rota- References tional Spectroscopy) Microwave spectrum
Liu, Xiao-Zhou; Bohn, Robert K.; Sorenson, Sterling A.; True, Nancy S.; Journal of Molecular Structure; vol. 243; nb. 3; (1991); p. 325 - 339, View in Reaxys
Rotational spectrum
Liu, Xiao-Zhou; Bohn, Robert K.; Sorenson, Sterling A.; True, Nancy S.; Journal of Molecular Structure; vol. 243; nb. 3; (1991); p. 325 - 339, View in Reaxys
Intensity of micro- Liu, Xiao-Zhou; Bohn, Robert K.; Sorenson, Sterling A.; True, Nancy S.; Journal of Molecular Structure; wave bands vol. 243; nb. 3; (1991); p. 325 - 339, View in Reaxys Stark effect
Forest; Smyth; Journal of the American Chemical Society; vol. 86; (1964); p. 3474,3475, View in Reaxys
Raman Spectroscopy (4) Description (Ram- Location an Spectroscopy)
Comment (Raman References Spectroscopy)
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Bands
supporting information
Yamakoshi, Hiroyuki; Dodo, Kosuke; Palonpon, Almar; Ando, Jun; Fujita, Katsumasa; Kawata, Satoshi; Sodeoka, Mikiko; Journal of the American Chemical Society; vol. 134; nb. 51; (2012); p. 20681 - 20689, View in Reaxys
Spectrum
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Raman
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Raman intensities
Intensitaet der Raman-Banden bei 1600 cmE-1 und 1000 cmE-1.
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Lasing properties
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Luminescence quantum yield
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Fluorescence Spectroscopy (1) Description (Fluo- Comment (FluoReferences rescence Spectro- rescence Spectroscopy) scopy) Maxima
von fluessigem Benzylcyanid bei Bestrahlung mit Roentgenstrahlen.
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Other Spectroscopic Methods (1) Description (Other References Spectroscopic Methods) Photoelectron spectrum
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Pharmacological Data (27) 1 of 27
Comment (Pharmacological Data)
Bioactivities present
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View in Reaxys; Sah; Ma; Kao; Journal of the Chemical Society; (1931); p. 305, View in Reaxys; Wiley; Guerrant; Journal of the American Chemical Society; vol. 71; (1949); p. 981, View in Reaxys; Mignonac; Hoffmann; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 191; (1930); p. 718, View in Reaxys; Patent; Du Pont de Nemours and Co.; US2478990; (1947), View in Reaxys; Koelsch; Journal of the American Chemical Society; vol. 65; (1943); p. 437, View in Reaxys; Patent; I.G. Farbenind.; DE603622; (1932); Fortschr. Teerfarbenfabr. Verw. Industriezweige; vol. 21; p. 814,816, View in Reaxys; Patent; I.G. 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Zeitschrift fuer Naturforschung; vol. 8b; (1953); p. 440,443, View in Reaxys; Patent; Monsanto Chem. Co.; US2783265; (1954), View in Reaxys; Patent; Knoll A.G.; US2734908; (1951), View in Reaxys; Delaby et al.; Bulletin de la Societe Chimique de France; (1961); p. 2067,2068; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 246; (1958); p. 2906, View in Reaxys; Nasarow et al.; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; (1957); p. 976,978; engl. Ausg. 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Sofia; 52 Chimija <1957/58> 1, 38; Chem.Abstr.; (1961); p. 1521, View in Reaxys; Casini et al.; Annali di Chimica (Rome, Italy); vol. 48; (1958); p. 1322,1327, View in Reaxys; Torf; Chromow-Borisow; Zhurnal Obshchei Khimii; vol. 26; (1956); p. 856,859, 860; engl. Ausg. S. 977, 979, View in Reaxys; Patent; E. Lilly and Co.; US2524319; (1949), View in Reaxys; Patent; Univ. Notre Dame; US2851477; (1957), View in Reaxys; Kondo et al.; Itsuu Kenkyusho Nempo; nb. 6; (1955); p. 18,19; engl. Ref. S. 53, 54; Chem.Abstr.; (1956); p. 10110, View in Reaxys; Kharasch; Sosnowski; Tetrahedron; vol. 3; (1958); p. 97,102, 103, View in Reaxys; Albert; Anal. Univ. 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Chem.; vol. 127; nb. 46; (2015); p. 13863 - 13867, View in Reaxys; McMillan, Liam; Gilpin, Lauren F.; Baker, Justin; Brennan, Colin; Hall, Alan; Lundie, David T.; Lennon, David; Journal of Molecular Catalysis A: Chemical; vol. 411; (2016); p. 239 - 246, View in Reaxys; Keita, Massaba; Vandamme, Mathilde; Paquin, Jean-Franois; Synthesis (Germany); vol. 47; nb. 23; (2015); p. 3758 - 3766; Art.No: SS-2015-M0394-OP, View in Reaxys; Streuff, Jan; Feurer, Markus; Frey, Georg; Steffani, Alberto; Kacprzak, Sylwia; Weweler, Jens; Leijendekker, Leonardus H.; Kratzert, Daniel; Plattner, Dietmar A.; Journal of the American Chemical Society; vol. 137; nb. 45; (2015); p. 14396 - 14405, View in Reaxys; Yu, Feifei; Yang, Yunxu; Wang, Aizhi; Hu, Biwei; Luo, Xiaofei; Sheng, Ruilong; Dong, Yajun; Fan, Weiping; New Journal of Chemistry; vol. 39; nb. 12; (2015); p. 9743 - 9751, View in Reaxys; Yadav, Reena; Trivedi, Manoj; Kociok-Köhn, Gabriele; Prasad, Rajendra; Kumar, Abhinav; CrystEngComm; vol. 17; nb. 47; (2015); p. 9175 - 9184, View in Reaxys; Giri, Arnab Kanti; Saha, Arka; Mondal, Aniruddha; Chandra Ghosh, Subhash; Kundu, Susmita; Panda, Asit Baran; RSC Advances; vol. 5; nb. 124; (2015); p. 102134 - 102142, View in Reaxys; Mougenot, Patrick; Namane, Claudie; Fett, Eykmar; Goumy, Florence; Dadji-Fahun, Rommel; Langot, Gwladys; Monseau, Catherine; Onofri, Bndicte; Pacquet, Franois; Pascal, Ccile; Crespin, Olivier; BenHassine, Majdi; Ragot, Jean-Luc; Van-Pham, Thao; Philippo, Christophe; Chatelain-Egger, Florence; Pron, Philippe; Le Bail, Jean-Christophe; Guillot, Etienne; Chamiot-Clerc, Philippe; Chabanaud, Marie-Aude; Pruniaux, Marie-Pierre; Mnegotto, Jrme; Schmidt, Friedemann; Venier, Olivier; Viviani, Fabrice; Nicolai, Eric; Bioorganic and Medicinal Chemistry Letters; vol. 26; nb. 1; (2016); p. 25 - 32, View in Reaxys; Nielsen, Lasse Janniche; Moller, Birger Lindberg; Phytochemistry (Elsevier); vol. 120; (2015); p. 3 - 18, View in Reaxys; Jahanshahi, Roya; Akhlaghinia, Batool; RSC Advances; vol. 5; nb. 126; (2015); p. 104087 - 104094, View in Reaxys; McPherson, Christopher G.; Livingstone, Keith; Jamieson, Craig; Simpson, Iain; Synlett; vol. 27; nb. 1; (2016); p. 88 - 92;
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Comment (Pharmacological Data)
physiological behaviour discussed
Chen, Guo-Feng; Yang, Mei-Lin; Kuo, Ping-Chung; Lin, Mei-Chi; Liao, Ming-Yuan; Chemistry of Natural Compounds; vol. 50; nb. 1; (2014); p. 175 - 178; Khim. Prir. Soedin.; vol. 50; nb. 1; (2014); p. 154 - 156,3, View in Reaxys 3 of 27
Comment (Pharmacological Data)
physiological behaviour discussed
Mehta, Praveen Kumar; Bhatia, Shashi Kant; Bhatia, Ravi Kant; Bhalla, Tek Chand; Journal of Molecular Catalysis B: Enzymatic; vol. 105; (2014); p. 58 - 65, View in Reaxys 4 of 27
Comment (Pharmacological Data)
physiological behaviour discussed
Vesela, Alicja B.; Petrickova, Alena; Weyrauch, Philip; Martinkova, Ludmila; Biocatalysis and Biotransformation; vol. 31; nb. 1; (2013); p. 49 - 56, View in Reaxys 5 of 27
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Bacillus cereus
Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal bactericidal concentration (MBC) cological Data) Type (Pharmacological Data)
MBC
Value of Type (Pharmacological Data)
0.6 mg/ml
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys
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6 of 27
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Bacillus cereus
Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.07 mg/ml
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 7 of 27
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Escherichia coli
Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal bactericidal concentration (MBC) cological Data) Type (Pharmacological Data)
MBC
Value of Type (Pharmacological Data)
0.6 mg/ml
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 8 of 27
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Escherichia coli
Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.6 mg/ml
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 9 of 27
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Klebsiella pneumoniae
Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal bactericidal concentration (MBC) cological Data) Type (Pharmacological Data)
MBC
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Value of Type (Pharmacological Data)
0.07 mg/ml
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 10 of 27
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Klebsiella pneumoniae
Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.07 mg/ml
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 11 of 27
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Salmonella enteritidis
Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal bactericidal concentration (MBC) cological Data) Type (Pharmacological Data)
MBC
Value of Type (Pharmacological Data)
0.07 mg/ml
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 12 of 27
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Salmonella enteritidis
Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.03 mg/ml
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 13 of 27
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Sarcina lutea
Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data)
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Further Details (Pharma- broth micro-dilution method; minimal bactericidal concentration (MBC) cological Data) Type (Pharmacological Data)
MBC
Value of Type (Pharmacological Data)
0.15 mg/ml
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 14 of 27
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Sarcina lutea
Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.15 mg/ml
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 15 of 27
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Shigella sp.
Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal bactericidal concentration (MBC) cological Data) Type (Pharmacological Data)
MBC
Value of Type (Pharmacological Data)
1.25 mg/ml
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 16 of 27
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Shigella sp.
Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.6 mg/ml
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 17 of 27
Effect (Pharmacological Data)
antibacterial
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Species or Test-System (Pharmacological Data)
Staphylococcus aureus isolate 1
Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; strain isolated from human material sample was used; minimal cological Data) bactericidal concentration (MBC) Type (Pharmacological Data)
MBC
Value of Type (Pharmacological Data)
0.6 mg/ml
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 18 of 27
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Staphylococcus aureus isolate 1
Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; strain isolated from human material sample was used; minimal cological Data) inhibitory concentration (MIC) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.6 mg/ml
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 19 of 27
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Staphylococcus aureus isolate 2
Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; strain isolated from human material sample was used; minimal cological Data) bactericidal concentration (MBC) Type (Pharmacological Data)
MBC
Value of Type (Pharmacological Data)
0.3 mg/ml
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 20 of 27
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Staphylococcus aureus isolate 2
Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; strain isolated from human material sample was used; minimal cological Data) inhibitory concentration (MIC) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.3 mg/ml
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Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 21 of 27
Effect (Pharmacological Data)
antifungal
Species or Test-System (Pharmacological Data)
Aspergillus fumigatus
Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal fungicidal concentration (MFC) cological Data) Type (Pharmacological Data)
MFC
Value of Type (Pharmacological Data)
0.3 mg/ml
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 22 of 27
Effect (Pharmacological Data)
antifungal
Species or Test-System (Pharmacological Data)
Aspergillus fumigatus
Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.15 mg/ml
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 23 of 27
Effect (Pharmacological Data)
antifungal
Species or Test-System (Pharmacological Data)
Candida albicans
Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal fungicidal concentration (MFC) cological Data) Type (Pharmacological Data)
MFC
Value of Type (Pharmacological Data)
5 mg/ml
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 24 of 27
Effect (Pharmacological Data)
antifungal
Species or Test-System (Pharmacological Data)
Candida albicans
Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal inhibitory concentration (MIC) cological Data)
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Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.6 mg/ml
Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys 25 of 27
Effect (Pharmacological Data)
toxicokinetics
Species or Test-System (Pharmacological Data)
Crl:CD(SD)BR rat
Sex
male and female
Route of Application
intradermal
Concentration (Pharmacological Data)
150 mg/kg
Method (Pharmacological Data)
4 groups, each of 12 animals; body weight 200-300 g (female), 300-400 g (male); assessment of urinary thiocyanate excretion over 0-24, 24-28, 48-72 h post-dosing
Results
application of title comp. lead to 14-fold increase of urinary thiocyanate excretion; overall conversion of 33.6 percent for males, 24.9 percent for females; table
Potter; Smith; Api; Food and Chemical Toxicology; vol. 39; nb. 2; (2001); p. 147 - 151, View in Reaxys 26 of 27
Effect (Pharmacological Data)
anthelmintic
Endpoint of Effect (Phar- mortality macological Data) Species or Test-System (Pharmacological Data)
Caenorhabditis elegans strain N2
Exposure Period (Pharmacological Data)
4 - 13 h
Method (Pharmacological Data)
between 20 and 50 nematodes in 500 μl S medium with 30 μl E. coli culture placing in wells; 10 μl title comp. DMSO soln. addition; nematode survival measurement 4-5 h and 12-13 h after title comp. addn.; controls with DMSO alone
Further Details (Pharma- assay on free living nematode as model with important genetic similarities to parasitic nemcological Data) atodes; C. elegans maintenance on solid NGM medium; E. coli culture: 5 times concentrated overnight culture of E. coli WP2 (uvr A trp malB) in S medium Type (Pharmacological Data)
LC90
Value of Type (Pharmacological Data)
5000 μmol/l
Kermanshai, Rohan; McCarry, Brian E.; Rosenfeld, Jack; Summers, Peter S.; Weretilnyk, Elizabeth A.; Sorger, George J.; Phytochemistry; vol. 57; nb. 3; (2001); p. 427 - 435, View in Reaxys 27 of 27
Effect (Pharmacological Data)
antitumor
Species or Test-System (Pharmacological Data)
human erythroleukemic K562 cells
Concentration (Pharmacological Data)
0.1 - 500 μmol/l
Method (Pharmacological Data)
in vitro; antiproliferative assay; 5E4 cells/1.5 cm tissue culture dish; α-medium with 10 percent FCS; 5 percent CO2; 80 percent humidity; cell growth determinations performed by electronic counting
Further Details (Pharma- IC50: conc. required to cause 50 percent inhibition of cell growth cological Data) Type (Pharmacological Data)
IC50
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Value of Type (Pharmacological Data)
420 μmol/l
Results
conc.-response curve
Nastruzzi; Cortesi; Esposito; Menegatti; Leoni; Iori; Palmieri; Journal of Agricultural and Food Chemistry; vol. 48; nb. 8; (2000); p. 3572 - 3575, View in Reaxys Ecotoxicology (16) 1 of 16
Effect (Ecotoxicology)
insecticidal
Species or Test-System (Ecotoxicology)
Coptotermes formosanus, Formosan subterranean termite
Method (Ecotoxicology)
filter paper disk with 4 μmol title comp. placed in Petri dish; 20 workers (3rd instar or greater) and 1 soldier per replicate added; Petri dishes maintained at 100 percent relative humidity and 26.6 deg C; daily mortality evaluated for 21 d
Further Details (Ecotoxi- paper disks receiving water alone served as control; treatment in triplicate with each replicate cology) from different insect colony Comment (Ecotoxicology)
No effect
Tellez, Mario R; Khan, Ikhlas A; Kobaisy, Mozaina; Schrader, Kevin K; Dayan, Franck E; Osbrink, Weste; Phytochemistry; vol. 61; nb. 2; (2002); p. 149 - 155, View in Reaxys 2 of 16
Effect (Ecotoxicology)
toxicity to bacteria
Species or Test-System (Ecotoxicology)
Oscillatoria perornata
Concentration (Ecotoxicology)
0.0117 - 117 mg/l
Kind of Dosing (Ecotoxi- title comp. dissolved in pentane cology) Method (Ecotoxicology)
bacterial growth assay by absorbance measurement
Further Details (Ecotoxi- LCIC: lowest complete inhibition concentration cology) Type (Ecotoxicology)
LCIC
Value of Type (Ecotoxicology)
117 mg/l
Tellez, Mario R; Khan, Ikhlas A; Kobaisy, Mozaina; Schrader, Kevin K; Dayan, Franck E; Osbrink, Weste; Phytochemistry; vol. 61; nb. 2; (2002); p. 149 - 155, View in Reaxys 3 of 16
Effect (Ecotoxicology)
toxicity to bacteria
Species or Test-System (Ecotoxicology)
Selenastrum capricornutum
Concentration (Ecotoxicology)
0.0117 - 117 mg/l
Kind of Dosing (Ecotoxi- title comp. dissolved in pentane cology) Method (Ecotoxicology)
bacterial growth study by absorbance measurement
Comment (Ecotoxicology)
No effect
Tellez, Mario R; Khan, Ikhlas A; Kobaisy, Mozaina; Schrader, Kevin K; Dayan, Franck E; Osbrink, Weste; Phytochemistry; vol. 61; nb. 2; (2002); p. 149 - 155, View in Reaxys 4 of 16
Effect (Ecotoxicology)
pheromone activity
Species or Test-System (Ecotoxicology)
Meligethes aeneus, pollen beetle
Concentration (Ecotoxicology)
7 - 26 mg/day
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Kind of Dosing (Ecotoxi- undiluted title comp., H, NCS released individually from polyethylene (PE) bags; differ. recology) lease rates obtained by altering type and surface area of cellulose sponge, gauge of PE Method (Ecotoxicology)
field experiment; blocks of yellow water traps baited with lures of title comp., or H (4 or 13 mg/day), or NCS (2-phenylethyl isothiocyanate, 5 mg/day); captured insects removed, counted; blocks were rerandomized when >=10 beetles/treatment captured
Further Details (Ecotoxi- traps: water bowl were 2/3 filled with aq. detergent solut. (0.5 percent), set out in straight line cology) at 10 m along the edges of oilseed rape fields, ca. 1 m above ground; control: unbaited traps; +: signif. attracttion; x: no signif. effect; H: (Z)-3-hexen-1-ol Results
insects response was dependent on release rate of title comp.; mean insects caught per replicate (mg/day title comp.; response): ca. 137 (unbaited), 190 (7; x), 200 (13; +)
Smart, Lesley E.; Blight, Margaret M.; Journal of Chemical Ecology; vol. 26; nb. 4; (2000); p. 1051 - 1064, View in Reaxys 5 of 16
Effect (Ecotoxicology)
pheromone activity
Species or Test-System (Ecotoxicology)
Meligethes aeneus, pollen beetle
Concentration (Ecotoxicology)
1 - 7 mg/day
Kind of Dosing (Ecotoxi- undiluted title comp. and PhE released individually from polyethylene (PE) bags; differ. recology) lease rates obtained by altering type and surface area of cellulose sponge, gauge of PE Method (Ecotoxicology)
field experiment; blocks of yellow water traps baited with lures of title comp. or PhE (2phenylethanol, 1 or 6 mg/day); captured insects were removed and counted; blocks were rerandomized when >=10 beetles/treatment were captured
Further Details (Ecotoxi- traps: water bowl were 2/3 filled with aq. detergent solut. (0.5 percent), set out in a straight cology) line at 10 m along the edges of oilseed rape fields, ca. 1 m above ground; control: unbaited traps; behavioral response: no effect - x, signif. attraction - + Results
insects response was dependent on release rate of title comp.; mean insects caught per replicate (mg/day title comp.; response): ca. 12 (unbaited), 19 (1; x), 25 (7; +); response to title comp. was comparable with that to PhE
Smart, Lesley E.; Blight, Margaret M.; Journal of Chemical Ecology; vol. 26; nb. 4; (2000); p. 1051 - 1064, View in Reaxys 6 of 16
Effect (Ecotoxicology)
pheromone activity
Species or Test-System (Ecotoxicology)
Schistocerca gregaria, desert locust
Sex
male
Method (Ecotoxicology)
insects originated from speciments collected in 1991 in Niger; rearedet in lab. under gregarious conditions; 12:12 light:dark; 34 deg C at day, 27 deg C at night; 100-150 individuals; metal cages; feed daily fresh grass or wheat seedling and flaked oats
Further Details (Ecotoxi- Y and T glass olflactometer bioassays; closed-loop-stripping system; GC-MS analysis cology) Results
properties of courtship inhibiting pheromone; reppelent effect on gregarious mature males but only a week one on immature males
Seidelmann, Karsten; Luber, Karl; Ferenz, Hans-Joerg; Journal of Chemical Ecology; vol. 26; nb. 8; (2000); p. 1897 - 1910, View in Reaxys 7 of 16
Effect (Ecotoxicology)
olfactory
Species or Test-System (Ecotoxicology)
antenna of Pieris rapae crucivora, cabbage butterfly
Concentration (Ecotoxicology)
1 - 100 μg
Kind of Dosing (Ecotoxi- title comp. dissolved in CH2Cl2; deposited on filter paper strip cology) Method (Ecotoxicology)
in vitro; filter paper strip containing title comp. placed in glass tube; odor puff of 1 ml deliver. onto antenna prepar. together with deodor. and humid. air stream (350 ml/min); electroantennograms (EAG) record.; EAG intensity
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Further Details (Ecotoxi- title comp. tested on 5 different antennae of each sex; responses to blank puff and standard cology) comp. (hexan-1-ol) record. for every 2 meas. of title comp. Results
EAG activity not high; sexual difference not signif. at doses smaller than 10 μg
Omura, Hisashi; Honda, Keiichi; Hayashi, Nanao; Journal of Chemical Ecology; vol. 25; nb. 8; (1999); p. 1895 1906, View in Reaxys 8 of 16
Effect (Ecotoxicology)
behavioral symtoms
Species or Test-System (Ecotoxicology)
Pieris rapae crucivora, cabbage butterfly
Sex
male and female
Concentration (Ecotoxicology)
5 mg
Method (Ecotoxicology)
attraction to artificial flower test; adult butterflies; 50-ml Erlenmeyer flask filled with water; title comp. appled to paper towel put in flask; 2 treat. and 2 control flowers placed in exper. area; number of alightings followed by PER during 30 min
Further Details (Ecotoxi- flask covered with green paper; doughnut-shaped yellow filter paper disk held horizont. on cology) top of flask; PER= postalightment behavior; during assay postions of artif. flowers rotated every 10 min Results
title comp. moderately stimulated foraging
Omura, Hisashi; Honda, Keiichi; Hayashi, Nanao; Journal of Chemical Ecology; vol. 25; nb. 8; (1999); p. 1895 1906, View in Reaxys 9 of 16
Effect (Ecotoxicology)
behavioral symtoms
Species or Test-System (Ecotoxicology)
Pieris rapae crucivora, cabbage butterfly
Sex
male and female
Concentration (Ecotoxicology)
5 mg
Method (Ecotoxicology)
adult butterflies placed in plastic cage; title comp. applied to filter paper strip; odor plume of title comp. deliver. onto antenna for 30 sec; proboscis extention response (PER); PER activ. record. as mean percent of responses from 40 individ. of each sex
Further Details (Ecotoxi- butterflies starved for ca. 20 h before exper.; odor plume delivered through glass tube with cology) deodorized and humidif. air; air flow 1400 ml/min; each individual assayed twice a day Results
moderate response (ca. 20 percent) from both sexes
Omura, Hisashi; Honda, Keiichi; Hayashi, Nanao; Journal of Chemical Ecology; vol. 25; nb. 8; (1999); p. 1895 1906, View in Reaxys 10 of 16
Effect (Ecotoxicology)
toxicity to invertebrates
Endpoint of Effect (Ecotoxicology)
insecticidal action
Species or Test-System (Ecotoxicology)
Rhizopertha dominica
Exposure Period (Ecotoxicology)
24 h
Method (Ecotoxicology)
mortality recording
Type (Ecotoxicology)
LC50
Value of Type (Ecotoxicology)
2.37 mg/l
Peterson; Tsao; Coats; Pesticide Science; vol. 54; nb. 1; (1998); p. 35 - 42, View in Reaxys 11 of 16
Effect (Ecotoxicology)
toxicity to invertebrates
Endpoint of Effect (Ecotoxicology)
insecticidal action
Species or Test-System (Ecotoxicology)
Musca domestica, house fly
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Exposure Period (Ecotoxicology)
24 h
Method (Ecotoxicology)
mortality recording
Type (Ecotoxicology)
LC50
Value of Type (Ecotoxicology)
0.97 mg/l
Peterson; Tsao; Coats; Pesticide Science; vol. 54; nb. 1; (1998); p. 35 - 42, View in Reaxys 12 of 16
Effect (Ecotoxicology)
pheromone activity
Species or Test-System (Ecotoxicology)
Ceutorhynchus assimilis (Paykull), cabbage seed weevil
Method (Ecotoxicology)
field experiments conducted on Rothamsted Farm, Harpenden; release rate: 7 mg/day; yellow water bowl traps
Further Details (Ecotoxi- compound found in oilseed rape odor (Brassica napus); exp. B: June 1-27, 1994 (6 replicology) cates) Results
mean C. assimilis caught per replicate: 40.3 (unbaited control: 20.0)
Smart, Lesley E.; Blight, Margaret M.; Journal of Chemical Ecology; vol. 23; nb. 11; (1997); p. 2555 - 2567, View in Reaxys 13 of 16
Effect (Ecotoxicology)
electrophysiological
Species or Test-System (Ecotoxicology)
Ceutorhynchus assimilis, cabbage seed weevil
Sex
female
Concentration (Ecotoxicology)
1E-6 g
Kind of Dosing (Ecotoxi- in a purified airstream (1 l/min) flowing continuously over the preparation cology) Exposure Period (Ecotoxicology)
1s
Method (Ecotoxicology)
electroantennography (EAG); whole antennae; Ag-AgCl glass electrodes filled with saline solution; antennae suspended between the two electrodes
Further Details (Ecotoxi- EAG response were normalized with respect to the response elicited by 1E-6 g of (Z)-3cology) hexen-1-ol (0.025 mV) Results
EAG response: 32 percent of response to (Z)-3-hexen-1-ol
Blight; Pickett; Wadhams; Woodcock; Journal of Chemical Ecology; vol. 21; nb. 11; (1995); p. 1649 - 1664, View in Reaxys 14 of 16
Effect (Ecotoxicology)
electrophysiological
Species or Test-System (Ecotoxicology)
Ceutorhynchus assimilis, cabbage seed weevil
Sex
male
Concentration (Ecotoxicology)
1E-6 g
Kind of Dosing (Ecotoxi- in a purified airstream (1 l/min) flowing continuously over the preparation cology) Exposure Period (Ecotoxicology)
1s
Method (Ecotoxicology)
electroantennography (EAG); whole antennae; Ag-AgCl glass electrodes filled with saline solution; antennae suspended between the two electrodes
Further Details (Ecotoxi- EAG response were normalized with respect to the response elicited by 1E-6 g of (Z)-3cology) hexen-1-ol (0.28 mV) Results
EAG response: 117 percent of response to (Z)-3-hexen-1-ol
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Blight; Pickett; Wadhams; Woodcock; Journal of Chemical Ecology; vol. 21; nb. 11; (1995); p. 1649 - 1664, View in Reaxys 15 of 16
Effect (Ecotoxicology)
electrophysiological
Species or Test-System (Ecotoxicology)
Schistocerca gregaria (Forksal), desert locust
Sex
male and female
Concentration (Ecotoxicology)
10 μg
Method (Ecotoxicology)
older adults, 18-25 days after molt; elctroanntenography (EAG); N=13
Results
mean of EAG amplitude: ca. 1.6-1.8 mV (control: air ca. 0.2 mV, CH2Cl2 ca. 0.3 mv); higher for male
Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys 16 of 16
Effect (Ecotoxicology)
behavioral symtoms
Endpoint of Effect (Ecotoxicology)
aggregation
Species or Test-System (Ecotoxicology)
Schistocerca gregaria (Forksal), desert locust
Sex
male and female
Concentration (Ecotoxicology)
25 - 250 LH
Method (Ecotoxicology)
older adults, 18-25 days after molt; young adults, 4-10 days after molt; fifth instar nymphs, 3-5 days after molt; glass olfactometer
Further Details (Ecotoxi- 1 LH - volatiles emitted by one locust for 1 hour cology) Results
aggregation index (mean over dose range): young 61, older 62; no effect from fifth instar nymphs; dose-response diagram; also at conc. 0.00001-0.1 μM; no significant difference between males and females
Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys Exposure Assessment (4) Exposure Sources
References
presence in drink- treating East Fork ing water concen- Lake water in Ohio trate by coagulation followed by chlorination or ozonation/ post-chlorination, spiking with bromide and iodide and concentrating by reverse osmosis
Richardson, Susan D.; Thruston Jr., Alfred D.; Krasner, Stuart W.; Weinberg, Howard S.; Miltner, Richard J.; Schenck, Kathleen M.; Narotsky, Michael G.; McKague, A. Bruce; Simmons, Jane Ellen; Journal of Toxicology and Environmental Health - Part A: Current Issues; vol. 71; nb. 17; (2008); p. 1165 - 1186, View in Reaxys
presence in emis- heating of nitrosions gen-containing plastics such as acetonitrile-butadiene-styrene at low temp. (<=300 deg C); table
Watanabe, Mafumi; Nakata, Chisto; Wu, Wei; Kawamoto, Katsuya; Noma, Yukio; Chemosphere; vol. 68; nb. 11; (2007); p. 2063 - 2072, View in Reaxys
presence in air
emissions from Pinto, Delia M.; Blande, James D.; Nykaenen, Riikka; Dong, Wen-Xia; Nerg, Annepotted herbivore Marja; Holopainen, Jarmo K.; Journal of Chemical Ecology; vol. 33; nb. 4; (2007); p. 683 damage Brassica - 694, View in Reaxys oleracea spp. capitata L. cv. Lennox, cabbage plants
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formation in drink- organic matter ing water after containing in the ozonation drinking water taken from Mississippi River near Jefferson Parish, LA, USA
Richardson, Susan D.; Thruston Jr., Alfred D.; Caughran, Tashia V.; Chen, Paul H.; Collette, Timothy W.; Floyd, Terrance L.; Schenck, Kathleen M.; Lykins Jr., Benjamin W.; Sun, Guang-Ri; Majetich, George; Environmental Science and Technology; vol. 33; nb. 19; (1999); p. 3368 - 3377, View in Reaxys
Concentration in the Environment (2) 1 of 2
Media (Concentration in the Environment)
water
Location
Eijsden, river Meuse, Netherlands
Contamination Concentration
20 ng/l
Method, Remarks (Con- non-filtered samples; August - October 1998; 80 l of sampled water solid-phase-extracted centration in the Environ- for 24 h by 150 ml of a 1:1 (v/v) XAD-4/XAD-8 polymer mixture; GC-AED (atomic emission ment) detection)/MS analysis Van Stee; Leonards; Van Loon; Jan Hendriks; Struijs; Brinkman; Maas; Water Research; vol. 36; nb. 18; (2002); p. 4455 - 4470, View in Reaxys 2 of 2
Media (Concentration in the Environment)
coal gasification effluent
Location
Nanjing, China
Contamination Concentration
0.071 mg/l
Method, Remarks (Con- filtered effluent sample 1 was passed through C18 SPE column; elution with 25, 50, 75, 80, centration in the Environ- 85, 90, 95, 100 percent methanol/water solutions; 50 percent fraction of effluent sample 1; ment) GC-MS Jin; Yang; Yu; Yin; Bulletin of Environmental Contamination and Toxicology; vol. 63; nb. 3; (1999); p. 399 - 406, View in Reaxys Bioaccumulation, Biomagnification and Biomonitoring (1) 1 of 1
Species (Bioaccumulation, Biomagnification and Biomonitoring)
Odocoileus virginianus, white-tailed deer
Method, Remarks (Bio- urine samples collected from dominant and subordinate males during breeding and nonaccumulation, Biomagni- breeding seasons; social and seasonal effects monitoring; GC-MS analysis fication and Biomonitoring) Biomonitoring
title comp. detd. both in dominant and subordinate males in breeding season; GC integrated peak area: 2.95 and 2.4 log units, resp.
Miller; Jemiolo; Gassett; Jelinek; Wiesler; Novotny; Journal of Chemical Ecology; vol. 24; nb. 4; (1998); p. 673 683, View in Reaxys Abiotic Degradation, Hydrolysis (1) 1 of 1
Type (Abiotic Degradation, Hydrolysis)
oxidation
Concentration (Abiotic Ca. 1 ng/l Degradation, Hydrolysis) Method, Remarks (Abio- O3-enriched air (120 ng/l) was channeled to glass desiccator containing title comp.-emitting, tic Degradation, Hydroly- herbivore-damaged plant (Brassica oleracea L. cv. Lennox, cabbage); headspace sampled sis) for 60 min; GC-MS; reduced title comp. conc. observed; diagram Pinto, Delia M.; Blande, James D.; Nykaenen, Riikka; Dong, Wen-Xia; Nerg, Anne-Marja; Holopainen, Jarmo K.; Journal of Chemical Ecology; vol. 33; nb. 4; (2007); p. 683 - 694, View in Reaxys Use (2) Laboratory Use and Handling
Use Pattern
References
Promoter in the di- Patent; Lewis, Kenrick M.; Cameron, Rudolph A.; Ritscher, James S.; Ritscher, Karect synthesis of ren; US2007/287850; (2007); (A1) English, View in Reaxys trialkoxysilane
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retarded the corrosion of copper in 3 mol L-1 HNO3
Fouda, A. S.; Al-Naimi, I. S.; Bulletin de la Societe Chimique de France; nb. 1; (1991); p. 35 - 38, View in Reaxys
Isolation from Natural Product (11) Isolation from Nat- References ural Product root barks of Mor- Chen, Guo-Feng; Yang, Mei-Lin; Kuo, Ping-Chung; Lin, Mei-Chi; Liao, Ming-Yuan; Chemistry of Natural inga oleifera Lam; Compounds; vol. 50; nb. 1; (2014); p. 175 - 178; Khim. Prir. Soedin.; vol. 50; nb. 1; (2014); p. 154 - 156,3, purchased from View in Reaxys Sing flow seed Trading Co., Ltd., Tainan, Taiwan, May 2006 leaves of Fallopia Noge, Koji; Abe, Makoto; Tamogami, Shigeru; Molecules; vol. 16; nb. 8; (2011); p. 6481 - 6488, sachalinensis View in Reaxys (giant knotweed), collected at Kamishinjyo, Akita Sity, Japan in August 2009, and infested by Popillia japonica (Japanese beetle) or treated with exogenous airborne methyl jasmonate Brassica rapa, rape flower
Omura, Hisashi; Honda, Keiichi; Hayashi, Nanao; Journal of Chemical Ecology; vol. 25; nb. 8; (1999); p. 1895 - 1906, View in Reaxys
1.) seedlings of Butzenlechner, Maria; Thimet, Susanne; Kempe, Klaus; Kexel, Hugo; Schmidt, Hanns-Ludwig; PhytoLepidum sativum, chemistry; vol. 43; nb. 3; (1996); p. 585 - 592, View in Reaxys 2.) enzyme preparation from the kernels of sweet almonds, phosphate buffer Botrytis cinerea
Kikuchi, Tohru; Kadota, Shigetoshi; Suehara, Hisashi; Nishi, Arasuke; Tsubaki, Keisuke; et al.; Chemical & Pharmaceutical Bulletin; vol. 31; nb. 2; (1983); p. 659 - 663, View in Reaxys
aus HOJI-Cha
Yamanishi; Shimojo; Ukita; et al.; Agricultural and Biological Chemistry; vol. 37; nb. 9; (1973); p. 2147 - 2153, View in Reaxys
in Tomatenaroma
Viani et al.; Helvetica Chimica Acta; vol. 52; (1969); p. 887,888, View in Reaxys
aus Aroma von schwarzem Tee (GC)
Bricout et al.; Helvetica Chimica Acta; vol. 50; (1967); p. 1517, View in Reaxys
Enzymatische Virtanen; Saarivirta; Suomen Kemistilehti B; vol. 35; (1962); p. 248, View in Reaxys Spaltung v. Glucotropaeolin aus Lepidum sativum, neben and. Verb. V. in Coronopus didymus
Fester et al.; Revista de la Facultad de Ingenieria Quimica (Universidad Nacional del Litoral); vol. 28; (1959); p. 9; Chem.Abstr.; vol. 55; nb. 10809; (1961), View in Reaxys
in den Blueten von Sabetay; Palfray; Trabaud; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; Leptactina sene- vol. 207; (1938); p. 540, View in Reaxys gambica
Reaxys ID 3916998 View in Reaxys
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CAS Registry Number: 26388-11-4 Chemical Name: benzylcyanide, sodium salt; phenyl-acetonitrile; monosodium compound; Phenyl-acetonitril; Mononatriumverbindung; Natrium-benzylcyanid; Natrium-phenylacetonitril; Phenylacetonitril-natrium; monosodium-derivative of benzyl cyanide Linear Structure Formula: Na(1+)*NCCHC6H5 (1-)=NaNCCHC H 6 5 Molecular Formula: C8H6N*Na Molecular Weight: 139.132 Type of Substance: isocyclic InChI Key: DGESSECGVDRUDY-UHFFFAOYSA-N Note:
N
CH – Na +
Substance Label (2) Label References VI-10, M=Na
Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys
PhCH%-&X, X=CN
Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1047 - 1054, View in Reaxys
Related Structure (1) Related Structure References Constitution.
Upson; Thompson; Journal of the American Chemical Society; vol. 44; (1922); p. 182, View in Reaxys; Rising; Zee; Journal of the American Chemical Society; vol. 50; (1928); p. 1704, View in Reaxys
Melting Point (1) 1 of 1
Solvent (Melting Point)
diethyl ether
Rising; Braun; Journal of the American Chemical Society; vol. 52; (1930); p. 1070,1072, View in Reaxys Crystal Property Description (1) Colour & Other References Properties gelb
Rising; Braun; Journal of the American Chemical Society; vol. 52; (1930); p. 1070,1072, View in Reaxys
NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- dimethylsulfoxide scopy) Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys 2 of 2
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- dimethylsulfoxide scopy) Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1047 - 1054, View in Reaxys
Reaxys ID 2045812 View in Reaxys
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CAS Registry Number: 935-66-0 Chemical Name: phenylacetonitrile-α,α-d2; 2-phenyl(2,2(2)H)acetonitrile; 1,1-dideuteriobenzyl cyanide; phenyldideuterioacetonitrile; phenylacetonitrile-d2; dideuterio-phenyl-acetonitrile; α,α-Dideuteriobenzylcyanid Linear Structure Formula: C6H5C(2)H2CN Molecular Formula: C8H7N Molecular Weight: 119.134 Type of Substance: isocyclic; Isotope or isotope containing compound InChI Key: SUSQOBVLVYHIEX-NCYHJHSESA-N Note:
N 2H 2H
Substance Label (5) Label References BzCN-d2
Ito, Yoshikatsu; Nakabayashi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p. 7139 - 7152, View in Reaxys
3
Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Boche, Gernot; Angewandte Chemie; vol. 101; nb. 10; (1989); p. 1424 - 1425, View in Reaxys
II
Dezwaan; Jonas; Journal of Physical Chemistry; vol. 77; (1973); p. 1768, View in Reaxys
1-d(2)
Kaiser,E.M. et al.; Journal of the American Chemical Society; vol. 93; nb. 17; (1971); p. 4237 - 4242, View in Reaxys
IV
Kaiser; Hauser; Journal of the American Chemical Society; vol. 88; (1966); p. 2348, View in Reaxys
Boiling Point (2) Boiling Point [°C]
Pressure (Boiling Point) [Torr]
References
106 - 107.5
12
Hall,J.H.; Wojciechowska,M.; Journal of Organic Chemistry; vol. 43; (1978); p. 3348 3353, View in Reaxys
77 - 78
3.8
Kaiser,E.M. et al.; Journal of the American Chemical Society; vol. 93; nb. 17; (1971); p. 4237 - 4242, View in Reaxys
Conformation (1) Object of Investi- References gation Conformation
Dezwaan; Jonas; Journal of Physical Chemistry; vol. 77; (1973); p. 1768, View in Reaxys
Further Information (3) Description (Fur- References ther Information) Further information
Bank; Thomas; Journal of Organic Chemistry; vol. 42; (1977); p. 2858,2864, View in Reaxys
Further information
Molenaer-Langeveld et al.; Organic Mass Spectrometry; vol. 5; (1971); p. 725,728, View in Reaxys
Further information
Kaiser; Hauser; Journal of the American Chemical Society; vol. 88; (1966); p. 2348, View in Reaxys
NMR Spectroscopy (6) 1 of 6
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- D2O scopy) Wimalasena, Kandatege; Alliston, Kevin R.; Journal of the American Chemical Society; vol. 117; nb. 4; (1995); p. 1220 - 1224, View in Reaxys 2 of 6
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
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Solvents (NMR Spectro- CDCl3 scopy) Wierlacher, Stefan; Sander, Wolfram; Uu, Michael T. H.; Journal of the American Chemical Society; vol. 115; nb. 20; (1993); p. 8943 - 8953, View in Reaxys 3 of 6
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)
2D-13C.
Wierlacher, Stefan; Sander, Wolfram; Uu, Michael T. H.; Journal of the American Chemical Society; vol. 115; nb. 20; (1993); p. 8943 - 8953, View in Reaxys 4 of 6
Description (NMR Spec- NMR troscopy) Hall,J.H.; Wojciechowska,M.; Journal of Organic Chemistry; vol. 43; (1978); p. 3348 - 3353, View in Reaxys; Jenkins; Cohen; Journal of Organic Chemistry; vol. 40; (1975); p. 3566,3570,3571, View in Reaxys
5 of 6
Description (NMR Spec- Spin-lattice relaxation time (T1) troscopy) Dezwaan; Jonas; Journal of Physical Chemistry; vol. 77; (1973); p. 1768, View in Reaxys
6 of 6
Description (NMR Spec- NMR troscopy) Comment (NMR Spectroscopy)
1H-NMR
Kaiser,E.M. et al.; Journal of the American Chemical Society; vol. 93; nb. 17; (1971); p. 4237 - 4242, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
IR
Jenkins; Cohen; Journal of Organic Chemistry; vol. 40; (1975); p. 3566,3570,3571, View in Reaxys Mass Spectrometry (1) References Molenaer-Langeveld et al.; Organic Mass Spectrometry; vol. 5; (1971); p. 725,728, View in Reaxys; Bank; Thomas; Journal of Organic Chemistry; vol. 42; (1977); p. 2858,2864, View in Reaxys; Nibbering; deBoer; Tetrahedron; vol. 24; (1968); p. 1435, View in Reaxys
Reaxys ID 1863831 View in Reaxys
4/77 CAS Registry Number: 18802-89-6 Chemical Name: phenylacetonitrile carbanion; phenylacetonitrile anion; phenylacetonitrile; deprotonated form; cyano-phenylmethanide; Phenylacetonitril-Anion; Phenylacetonitril Linear Structure Formula: C8H6N(1-) Molecular Formula: C8H6N Molecular Weight: 116.142 Type of Substance: isocyclic InChI Key: QGTHPEHTJZQOGC-UHFFFAOYSA-N Note:
N
CH –
Substance Label (9) Label References 1 (1-)
Niyazymbetov, Murat E.; Rongfeng, Zhou; Evans, Dennis H.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); nb. 9; (1996); p. 1957 - 1962, View in Reaxys
II
Binev, I. G.; Tsenov, J. A.; Velcheva, E. A.; Juchnovski, I. N.; Journal of Molecular Structure; vol. 344; (1995); p. 205 - 216, View in Reaxys
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9-anion
Bausch; Guadalupe-Fasano; Peterson; Journal of the American Chemical Society; vol. 113; nb. 22; (1991); p. 8384 - 8388, View in Reaxys
PhCHCN(-)
Bordwell, F. G.; Cheng, Jin-Pei; Journal of the American Chemical Society; vol. 111; nb. 5; (1989); p. 1792 1795, View in Reaxys
C6H5CHCN(1-)
Bordwell, Frederick G.; Bausch, Mark J.; Journal of the American Chemical Society; vol. 108; nb. 8; (1986); p. 1979 - 1985, View in Reaxys
VI-10
Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys
Tab.I Run 12 nucleoph.
Russell, Glen A.; Khanna, R. K.; Journal of the American Chemical Society; vol. 107; nb. 5; (1985); p. 1450 - 1452, View in Reaxys
1c X = CN
Bradamaule et al.; Journal of the Chemical Society, Chemical Communications; (1976); p. 478, View in Reaxys
Anion 2A
Albagnac et al.; Bulletin de la Societe Chimique de France; (1974); p. 1469,1470, View in Reaxys
Related Structure (1) Related Structure References The author inves- Binev, I. G.; Tsenov, J. A.; Velcheva, E. A.; Juchnovski, I. N.; Journal of Molecular Structure; vol. 344; (1995); tigated the config- p. 205 - 216, View in Reaxys uration Electrochemical Characteristics (3) 1 of 3
Description (Electrochemical Characteristics)
redox potential
Solvent (Electrochemical dimethylsulfoxide Characteristics) Comment (Electrochem- -0.06 V; Product: /BRN= 4176825/. No. of transm. electrons: 1. Method: cyclovoltammetry. ical Characteristics) Description: 0.1 M Et4N(1+)*BF4(1-), Pt electrode, Ag/AgI ref. electrode Product
α-Cyanbenzylradical
Bausch; Guadalupe-Fasano; Peterson; Journal of the American Chemical Society; vol. 113; nb. 22; (1991); p. 8384 - 8388, View in Reaxys 2 of 3
Description (Electrochemical Characteristics)
redox potential
Comment (Electrochem- Product: /BRN= 385941/. No. of transm. electrons: 1. Method: cyclovoltammetry. Descripical Characteristics) tion: referenced to the ferrocene-ferrocenium couple Product
phenylacetonitrile
Bordwell; Cheng, Jin-Pei; Ji, Guo-Zhen; Satish; Zhang, Xianman; Journal of the American Chemical Society; vol. 113; nb. 26; (1991); p. 9790 - 9795, View in Reaxys 3 of 3
Description (Electrochemical Characteristics)
oxidation potential
Bordwell, Frederick G.; Bausch, Mark J.; Journal of the American Chemical Society; vol. 108; nb. 8; (1986); p. 1979 - 1985, View in Reaxys NMR Spectroscopy (6) 1 of 6
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- dimethylsulfoxide scopy) Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys 2 of 6
Description (NMR Spec- Chemical shifts troscopy)
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Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- dimethylsulfoxide scopy) Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys 3 of 6
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- dimethylsulfoxide scopy) Comment (NMR Spectroscopy)
1H-1H.
Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys 4 of 6
Description (NMR Spec- NMR troscopy) Bradamante; Pagani; Journal of Organic Chemistry; vol. 44; (1979); p. 4735, View in Reaxys
5 of 6
Description (NMR Spec- NMR troscopy) Comment (NMR Spectroscopy)
13C (para-13C) s. Fig.
Bradamaule et al.; Journal of the Chemical Society, Chemical Communications; (1976); p. 478, View in Reaxys 6 of 6
Description (NMR Spec- NMR troscopy) Comment (NMR Spectroscopy)
1H
Albagnac et al.; Bulletin de la Societe Chimique de France; (1974); p. 1469,1470, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Spectrum
Solvent (IR Spectroscopy)
dimethylsulfoxide
Comment (IR Spectroscopy)
3056 - 1173 cm**(-1)
Binev, I. G.; Tsenov, J. A.; Velcheva, E. A.; Juchnovski, I. N.; Journal of Molecular Structure; vol. 344; (1995); p. 205 - 216, View in Reaxys
Reaxys ID 2249723 View in Reaxys
5/77 CAS Registry Number: 83552-81-2 Chemical Name: <1-13C>-phenylacetonitrile; Benzyl <1-13C>cyanide; Phenyl[1-13C]acetonitril; phenylacetonitrile-1-13C; phenylaceto[13C]nitrile; benzyl cyanide-8-(13)C; 8-13C-benzyl cyanide Linear Structure Formula: C6H5CH2 (13)CN Molecular Formula: C8H7N Molecular Weight: 118.139 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-CDYZYAPPSA-N Note:
N 13
C
Substance Label (3) Label References
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2
Corrie, John E. T.; Ranjit; Munasinghe; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 48; nb. 3; (2005); p. 231 - 233, View in Reaxys; Patent; Ly, Tai Wei; US2011/172250; (2011); (A1) English, View in Reaxys
nitrile to 2
Holmes, Darren L.; Lightner, David A.; Tetrahedron; vol. 51; nb. 6; (1995); p. 1607 - 1622, View in Reaxys
<1-13C>-11
Cox, Russell J.; O'Hagan, David; Journal of the Chemical Society, Perkin Transactions 1: Organic and BioOrganic Chemistry (1972-1999); nb. 10; (1991); p. 2537 - 2540, View in Reaxys
Boiling Point (1) Boiling Point [°C] 121 - 124
Pressure (Boiling Point) [Torr]
References
12
Fathi, Behrouz; Giovannini, Edgardo; Helvetica Chimica Acta; vol. 85; nb. 7; (2002); p. 2083 - 2088, View in Reaxys
Conformation (2) Object of Investi- References gation Energy difference between the conformers
Schaefer, Ted; Penner, Glenn H.; Canadian Journal of Chemistry; vol. 64; (1986); p. 2013 - 2020, View in Reaxys
Conformation
Schaefer, Ted; Penner, Glenn H.; Canadian Journal of Chemistry; vol. 64; (1986); p. 2013 - 2020, View in Reaxys
Crystal Property Description (1) Colour & Other Location Properties
References
colorless
Patent; Ly, Tai Wei; US2011/172250; (2011); (A1) English, View in Reaxys
Page/Page column 21
NMR Spectroscopy (11) 1 of 11
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
90
Corrie, John E. T.; Ranjit; Munasinghe; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 48; nb. 3; (2005); p. 231 - 233, View in Reaxys 2 of 11
Nucleus (NMR Spectroscopy)
1H
Coupling Nuclei
13C
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
90
Corrie, John E. T.; Ranjit; Munasinghe; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 48; nb. 3; (2005); p. 231 - 233, View in Reaxys 3 of 11
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Cox, Russell J.; O'Hagan, David; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); nb. 10; (1991); p. 2537 - 2540, View in Reaxys 4 of 11
Description (NMR Spec- Spin-spin coupling constants troscopy)
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Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)
13C-1H.
Cox, Russell J.; O'Hagan, David; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); nb. 10; (1991); p. 2537 - 2540, View in Reaxys 5 of 11
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- benzene-d6 scopy) Temperature (NMR Spectroscopy) [°C]
26.9
Schaefer, Ted; Penner, Glenn H.; Canadian Journal of Chemistry; vol. 64; (1986); p. 2013 - 2020, View in Reaxys 6 of 11
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- benzene-d6 scopy) Temperature (NMR Spectroscopy) [°C]
26.9
Schaefer, Ted; Penner, Glenn H.; Canadian Journal of Chemistry; vol. 64; (1986); p. 2013 - 2020, View in Reaxys 7 of 11
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CS2; cyclohexane-d12 scopy) Temperature (NMR Spectroscopy) [°C]
26.9
Schaefer, Ted; Penner, Glenn H.; Canadian Journal of Chemistry; vol. 64; (1986); p. 2013 - 2020, View in Reaxys 8 of 11
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- benzene-d6 scopy) Temperature (NMR Spectroscopy) [°C]
26.9
Comment (NMR Spectroscopy)
1H-1H, 13C-1H.
Schaefer, Ted; Penner, Glenn H.; Canadian Journal of Chemistry; vol. 64; (1986); p. 2013 - 2020, View in Reaxys 9 of 11
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CS2; cyclohexane-d12 scopy) Temperature (NMR Spectroscopy) [°C]
26.9
Comment (NMR Spectroscopy)
13C-13C.
Schaefer, Ted; Penner, Glenn H.; Canadian Journal of Chemistry; vol. 64; (1986); p. 2013 - 2020, View in Reaxys
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10 of 11
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- benzene-d6 scopy) Temperature (NMR Spectroscopy) [°C]
26.9
Comment (NMR Spectroscopy)
1H-13C, 13C-13C.
Schaefer, Ted; Penner, Glenn H.; Canadian Journal of Chemistry; vol. 64; (1986); p. 2013 - 2020, View in Reaxys 11 of 11
Description (NMR Spec- NMR troscopy) Comment (NMR Spectroscopy)
13C
Crow; McNab; Australian Journal of Chemistry; vol. 32; (1979); p. 123,125,131, View in Reaxys
Reaxys ID 3572473 View in Reaxys
6/77 CAS Registry Number: 58477-04-6 Chemical Name: phenylacetonitrile lithium salt Linear Structure Formula: C8H6N(1-)*Li(1+) Molecular Formula: C8H6N*Li Molecular Weight: 123.083 Type of Substance: isocyclic InChI Key: SOIITMWYFLHDPF-UHFFFAOYSA-N Note:
N
CH – Li+
Substance Label (7) Label References 3
Reich, Hans J.; Biddle, Margaret M.; Edmonston, Robert J.; Journal of Organic Chemistry; vol. 70; nb. 9; (2005); p. 3375 - 3382, View in Reaxys
α
Viteva, Lilia; Stefanovski, Yuri; Gospodova, Tzveta; Mazieres, Marie Rose; Wolf, Jean Gerard; Tetrahedron Letters; vol. 41; nb. 15; (2000); p. 2541 - 2544, View in Reaxys
VI-10, M=Li
Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys
1b
Hatzigrigoriou, E.; Wartski, L.; Seyden-Penne, J.; Toromanoff, E.; Tetrahedron; vol. 41; nb. 21; (1985); p. 5045 - 5050, View in Reaxys
VII
Antipin, I.S.; Vedernikov, A.N.; Konovalov, A.I.; Journal of Organic Chemistry USSR (English Translation); vol. 21; (1985); p. 1233 - 1234; Zhurnal Organicheskoi Khimii; vol. 21; nb. 6; (1985); p. 1355 - 1356, View in Reaxys
3d
Boche, Gernot; Schrott, Wolfgang; Tetrahedron Letters; vol. 23; nb. 51; (1982); p. 5403 - 5406, View in Reaxys
II
Juchnovski,I.N.; Binev,I.G.; Journal of Organometallic Chemistry; vol. 99; (1975); p. 1 - 10, View in Reaxys
Association (MCS) (13) 1 of 13
Description (Association Association with compound (MCS)) Solvent (Association (MCS))
tetrahydrofuran
Partner (Association (MCS))
lithium hexamethyldisilazane
Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 2 of 13
Description (Association IR spectrum of the complex (MCS))
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Solvent (Association (MCS))
tetrahydrofuran
Partner (Association (MCS))
lithium hexamethyldisilazane
Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 3 of 13
Description (Association Association with compound (MCS)) Solvent (Association (MCS))
tetrahydrofuran
Partner (Association (MCS))
lithium diisopropyl amide
Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 4 of 13
Description (Association IR spectrum of the complex (MCS)) Solvent (Association (MCS))
tetrahydrofuran
Partner (Association (MCS))
lithium diisopropyl amide
Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 5 of 13
Description (Association Association with compound (MCS)) Solvent (Association (MCS))
tetrahydrofuran
Partner (Association (MCS))
n-butyllithium
Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 6 of 13
Description (Association IR spectrum of the complex (MCS)) Solvent (Association (MCS))
tetrahydrofuran
Partner (Association (MCS))
n-butyllithium
Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 7 of 13
Description (Association UV/VIS spectrum of the complex (MCS)) Solvent (Association (MCS))
benzene
Temperature (Association (MCS)) [°C]
25
Partner (Association (MCS))
4,7,13,18-tetraoxa-1,10-diazabicyclo[8.5.5]eicosane
Antipin, I. S.; Vedernikov, A. N.; Konovalov, A. I.; Journal of Organic Chemistry USSR (English Translation); vol. 25; nb. 1.1; (1989); p. 1 - 9; Zhurnal Organicheskoi Khimii; vol. 25; nb. 1; (1989); p. 3 - 12, View in Reaxys 8 of 13
Description (Association UV/VIS spectrum of the complex (MCS)) Solvent (Association (MCS))
various solvent(s)
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Temperature (Association (MCS)) [°C]
25
Partner (Association (MCS))
4,7,13,18-tetraoxa-1,10-diazabicyclo[8.5.5]eicosane
Antipin, I. S.; Vedernikov, A. N.; Konovalov, A. I.; Journal of Organic Chemistry USSR (English Translation); vol. 25; nb. 1.1; (1989); p. 1 - 9; Zhurnal Organicheskoi Khimii; vol. 25; nb. 1; (1989); p. 3 - 12, View in Reaxys 9 of 13
Description (Association UV/VIS spectrum of the complex (MCS)) Solvent (Association (MCS))
tetrahydrofuran
Temperature (Association (MCS)) [°C]
25
Partner (Association (MCS))
4,7,13,18-tetraoxa-1,10-diazabicyclo[8.5.5]eicosane
Antipin, I. S.; Vedernikov, A. N.; Konovalov, A. I.; Journal of Organic Chemistry USSR (English Translation); vol. 25; nb. 1.1; (1989); p. 1 - 9; Zhurnal Organicheskoi Khimii; vol. 25; nb. 1; (1989); p. 3 - 12, View in Reaxys 10 of 13
Description (Association Further physical properties of the complex (MCS)) Solvent (Association (MCS))
tetrahydrofuran
Temperature (Association (MCS)) [°C]
25
Partner (Association (MCS))
4,7,13,18-tetraoxa-1,10-diazabicyclo[8.5.5]eicosane
Antipin, I. S.; Vedernikov, A. N.; Konovalov, A. I.; Journal of Organic Chemistry USSR (English Translation); vol. 25; nb. 1.1; (1989); p. 1 - 9; Zhurnal Organicheskoi Khimii; vol. 25; nb. 1; (1989); p. 3 - 12, View in Reaxys 11 of 13
Description (Association Further physical properties of the complex (MCS)) Solvent (Association (MCS))
benzene
Temperature (Association (MCS)) [°C]
25
Partner (Association (MCS))
4,7,13,18-tetraoxa-1,10-diazabicyclo[8.5.5]eicosane
Antipin, I. S.; Vedernikov, A. N.; Konovalov, A. I.; Journal of Organic Chemistry USSR (English Translation); vol. 25; nb. 1.1; (1989); p. 1 - 9; Zhurnal Organicheskoi Khimii; vol. 25; nb. 1; (1989); p. 3 - 12, View in Reaxys 12 of 13
Description (Association Further physical properties of the complex (MCS)) Solvent (Association (MCS))
various solvent(s)
Temperature (Association (MCS)) [°C]
25
Partner (Association (MCS))
4,7,13,18-tetraoxa-1,10-diazabicyclo[8.5.5]eicosane
Antipin, I. S.; Vedernikov, A. N.; Konovalov, A. I.; Journal of Organic Chemistry USSR (English Translation); vol. 25; nb. 1.1; (1989); p. 1 - 9; Zhurnal Organicheskoi Khimii; vol. 25; nb. 1; (1989); p. 3 - 12, View in Reaxys 13 of 13
Description (Association Further physical properties of the complex (MCS)) Solvent (Association (MCS))
tetrahydrofuran
Temperature (Association (MCS)) [°C]
25
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Partner (Association (MCS))
<2.1.1>cryptand
Antipin, I.S.; Vedernikov, A.N.; Konovalov, A.I.; Journal of Organic Chemistry USSR (English Translation); vol. 21; (1985); p. 1233 - 1234; Zhurnal Organicheskoi Khimii; vol. 21; nb. 6; (1985); p. 1355 - 1356, View in Reaxys NMR Spectroscopy (4) 1 of 4
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- tetrahydrofuran scopy) Temperature (NMR Spectroscopy) [°C]
20
Frequency (NMR Spectroscopy) [MHz]
62.9
Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 2 of 4
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- tetrahydrofuran; hexane scopy) Temperature (NMR Spectroscopy) [°C]
20
Frequency (NMR Spectroscopy) [MHz]
62.9
Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 3 of 4
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- tetrahydrofuran; toluene scopy) Temperature (NMR Spectroscopy) [°C]
20
Frequency (NMR Spectroscopy) [MHz]
62.9
Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 4 of 4
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- dimethylsulfoxide scopy) Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys IR Spectroscopy (6) 1 of 6
Description (IR Spectroscopy)
Spectrum
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Solvent (IR Spectroscopy)
tetrahydrofuran
Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 2 of 6
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
tetrahydrofuran
Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 3 of 6
Description (IR Spectroscopy)
Spectrum
Solvent (IR Spectroscopy)
various solvents
Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 4 of 6
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
various solvents
Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 5 of 6
Description (IR Spectroscopy)
Bands
Juchnovski; Binev; Izvestiya po Khimiya; vol. 9; (1976); p. 465,467,469, View in Reaxys 6 of 6
Description (IR Spectroscopy)
Spectrum
Juchnovski; Binev; Izvestiya po Khimiya; vol. 9; (1976); p. 465,467,469, View in Reaxys Raman Spectroscopy (2) Description (Ram- Solvent (Raman an Spectroscopy) Spectroscopy)
References
Spectrum
various solvents
Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys
Bands
various solvents
Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys
Reaxys ID 1940648 View in Reaxys
7/77 CAS Registry Number: 4701-32-0 Chemical Name: [1-14C]-benzyl cyanide; phenyl-[1-14 C]acetonitrile; Phenylacetonitril-1-14C; Benzyl-(14C)-cyanid; Benzyl-cyanid-14C; 14C-Benzylcyanid; Benzylcyanid-14C Linear Structure Formula: C7 (14)CH7N Molecular Formula: C8H7N Molecular Weight: 119.139 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-WGGUOBTBSA-N Note:
N 14
C
Substance Label (1) Label References
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2
Shackleford, David M.; Hayball, Peter J.; Reynolds, Geoffrey D.; Hamon, David P. G.; Evans, Allan M.; Milne, Robert W.; Nation, Roger L.; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 44; nb. 3; (2001); p. 225 - 234, View in Reaxys
Boiling Point (3) Boiling Point [°C]
Pressure (Boiling Point) [Torr]
References
108 - 111
13
Wiberg et al.; Journal of Organic Chemistry; vol. 37; (1972); p. 3229,3234, View in Reaxys
108 - 110
14
Binns et al.; Journal of the Chemical Society [Section] C: Organic; (1970); p. 2063,2069, View in Reaxys
100 - 101
8
Coke et al.; Journal of the American Chemical Society; vol. 91; (1969); p. 1154, View in Reaxys
Reaxys ID 1938548 View in Reaxys
8/77 CAS Registry Number: 36696-80-7 Chemical Name: <4-2H>benzyl cyanide; (4-deuterio-phenyl)acetonitrile; 4-Deutero-phenylacetonitril; p-Deutero-benzylcyanid; p-Deuterobenzylcyanid; Benzylcyanid-4-d(1); Benzyl-4-d1cyanid Linear Structure Formula: C8H6DN Molecular Formula: C8H7N Molecular Weight: 118.142 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-MICDWDOJSA-N Note:
N
2H
Substance Label (2) Label References 2206
Fury; Jonas; Journal of Chemical Physics; vol. 65; (1976); p. 2206, View in Reaxys
I
Dezwaan; Jonas; Journal of Physical Chemistry; vol. 77; (1973); p. 1768, View in Reaxys
Boiling Point (1) Boiling Point [°C] 64
Pressure (Boiling Point) [Torr]
References
1.3
Chao, Herbert S.-I.; Berchtold, Glenn A.; Journal of Organic Chemistry; vol. 46; nb. 6; (1981); p. 1191 - 1194, View in Reaxys
Conformation (1) Object of Investi- References gation Conformation
Dezwaan; Jonas; Journal of Physical Chemistry; vol. 77; (1973); p. 1768, View in Reaxys
Further Information (2) Description (Fur- References ther Information) Further information
Molenaer-Langeveld et al.; Organic Mass Spectrometry; vol. 5; (1971); p. 725,728, View in Reaxys
Further information
Perel et al.; Journal of Medicinal Chemistry; vol. 10; (1967); p. 371,372, View in Reaxys
Mechanical Properties (1) Description (MeReferences chanical Properties) Viscosity
Fury; Jonas; Journal of Chemical Physics; vol. 65; (1976); p. 2206, View in Reaxys
NMR Spectroscopy (1) 1 of 1
Description (NMR Spec- Spin-lattice relaxation time (T1) troscopy) Dezwaan; Jonas; Journal of Physical Chemistry; vol. 77; (1973); p. 1768, View in Reaxys
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Mass Spectrometry (1) References Molenaer-Langeveld et al.; Organic Mass Spectrometry; vol. 5; (1971); p. 725,728, View in Reaxys; Nibbering; deBoer; Tetrahedron; vol. 24; (1968); p. 1435, View in Reaxys
Reaxys ID 4176825 View in Reaxys
9/77 CAS Registry Number: 56620-16-7 Chemical Name: α-Cyanbenzylradical Linear Structure Formula: C8H6N Molecular Formula: C8H6N Molecular Weight: 116.142 Type of Substance: isocyclic InChI Key: CNKSMVXPLZYNNV-UHFFFAOYSA-N Note:
N
CH
Substance Label (5) Label References 1 radical
Niyazymbetov, Murat E.; Rongfeng, Zhou; Evans, Dennis H.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); nb. 9; (1996); p. 1957 - 1962, View in Reaxys
9-radical
Bausch; Guadalupe-Fasano; Peterson; Journal of the American Chemical Society; vol. 113; nb. 22; (1991); p. 8384 - 8388, View in Reaxys
IIIa
Weir, D.; Journal of Physical Chemistry; vol. 94; nb. 15; (1990); p. 5870 - 5875, View in Reaxys
PhCHCN radical
Bordwell, F. G.; Cheng, Jin-Pei; Journal of the American Chemical Society; vol. 111; nb. 5; (1989); p. 1792 1795, View in Reaxys
7
Korth, Hans-Gert; Lommes, Petra; Sicking, Willi; Sustmann, Reiner; Chemische Berichte; vol. 118; nb. 11; (1985); p. 4627 - 4631, View in Reaxys
Electrochemical Characteristics (2) 1 of 2
Description (Electrochemical Characteristics)
redox potential
Solvent (Electrochemical acetonitrile Characteristics) Comment (Electrochem- 1.29 V; Product: /BRN= 4740803/. No. of transm. electrons: 1. Method: voltammetry. Deical Characteristics) scription: minigrid working electrode; Bu4NClO4, di-t-butylperoxide Product
C8H6N(1+)
Wayner, D. D. M.; Sim, B. A.; Dannenberg, J. J.; Journal of Organic Chemistry; vol. 56; nb. 16; (1991); p. 4853 4858, View in Reaxys 2 of 2
Description (Electrochemical Characteristics)
redox potential
Solvent (Electrochemical acetonitrile Characteristics) Comment (Electrochem- -0.54 V; Product: /BRN= 1863831/. No. of transm. electrons: 1. Method: voltammetry. Deical Characteristics) scription: minigrid working electrode; Bu4NClO4, di-t-butylperoxide Product
phenylacetonitrile carbanion
Wayner, D. D. M.; Sim, B. A.; Dannenberg, J. J.; Journal of Organic Chemistry; vol. 56; nb. 16; (1991); p. 4853 4858, View in Reaxys ESR Spectroscopy (2) 1 of 2
Description (ESR Spectroscopy)
ESR-hyperfine coupling constants
Temperature (ESR Spectroscopy) [°C]
-13
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Comment (ESR Spectro- 1H. . scopy) Korth, Hans-Gert; Lommes, Petra; Sicking, Willi; Sustmann, Reiner; Chemische Berichte; vol. 118; nb. 11; (1985); p. 4627 - 4631, View in Reaxys 2 of 2
Description (ESR Spectroscopy)
g-factor
Korth, Hans-Gert; Lommes, Petra; Sicking, Willi; Sustmann, Reiner; Chemische Berichte; vol. 118; nb. 11; (1985); p. 4627 - 4631, View in Reaxys Luminescence Spectroscopy (1) Description (Lumi- References nescence Spectroscopy) Luminescence lifetime
Weir, D.; Journal of Physical Chemistry; vol. 94; nb. 15; (1990); p. 5870 - 5875, View in Reaxys
Fluorescence Spectroscopy (2) Description (Fluo- Solvent (Fluoresrescence Spectro- cence Spectroscopy) scopy)
Comment (FluoReferences rescence Spectroscopy)
Spectrum
hexane
400 - 660 nm
Weir, D.; Journal of Physical Chemistry; vol. 94; nb. 15; (1990); p. 5870 - 5875, View in Reaxys
Maxima
hexane
477 nm
Weir, D.; Journal of Physical Chemistry; vol. 94; nb. 15; (1990); p. 5870 - 5875, View in Reaxys
Reaxys ID 2248115 View in Reaxys
10/77 CAS Registry Number: 14072-73-2 Chemical Name: phenylacetonitrile d-1; deuterio-phenyl-acetonitrile; α-Deutero-phenylacetonitril; Phenyl-cyan-monodeuteromethan Linear Structure Formula: C8H6DN Molecular Formula: C8H7N Molecular Weight: 118.142 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-RAMDWTOOSA-N Note:
N
2H
Substance Label (1) Label References 11
Fleming, Ian; Solay, Monica; Stolwijk, Frederik; Journal of Organometallic Chemistry; vol. 521; nb. 1-2; (1996); p. 121 - 124, View in Reaxys
Melting Point (1) 1 of 1
Melting Point [°C]
159 - 160
Kaiser et al.; Journal of Organic Chemistry; vol. 32; (1967); p. 3640,3643, View in Reaxys Further Information (1) Description (Fur- References ther Information) Further information
Iskander; Riad; Journal of the Chemical Society; (1961); p. 223,225, View in Reaxys
NMR Spectroscopy (4) 1 of 4
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy)
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Fleming, Ian; Solay, Monica; Stolwijk, Frederik; Journal of Organometallic Chemistry; vol. 521; nb. 1-2; (1996); p. 121 - 124, View in Reaxys 2 of 4
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CDCl3 scopy) Fleming, Ian; Solay, Monica; Stolwijk, Frederik; Journal of Organometallic Chemistry; vol. 521; nb. 1-2; (1996); p. 121 - 124, View in Reaxys 3 of 4
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)
1H-1H
Fleming, Ian; Solay, Monica; Stolwijk, Frederik; Journal of Organometallic Chemistry; vol. 521; nb. 1-2; (1996); p. 121 - 124, View in Reaxys 4 of 4
Description (NMR Spec- NMR troscopy) Barfield; Grant; Journal of the American Chemical Society; vol. 85; (1963); p. 1899,1903, View in Reaxys; Kaiser et al.; Journal of Organic Chemistry; vol. 32; (1967); p. 3640,3643, View in Reaxys
IR Spectroscopy (2) 1 of 2
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent)
Comment (IR Spectroscopy)
3299 - 4717 cm**(-1)
Fleming, Ian; Solay, Monica; Stolwijk, Frederik; Journal of Organometallic Chemistry; vol. 521; nb. 1-2; (1996); p. 121 - 124, View in Reaxys 2 of 2
Description (IR Spectroscopy)
Bands
Iskander; Riad; Journal of the Chemical Society; (1961); p. 223,225, View in Reaxys Mass Spectrometry (1) References Kaiser et al.; Journal of Organic Chemistry; vol. 32; (1967); p. 3640,3643, View in Reaxys
Reaxys ID 4383995 View in Reaxys
11/77 CAS Registry Number: 73368-35-1 Chemical Name: phenylacetonitrile-α-13C; <α-13C>Benzolacetonitril; (α-13C)benzyl cyanide; Benzyl-α-13C cyanide; phenyl[1-13C]acetonitrile Linear Structure Formula: C7 (13)CH7N Molecular Formula: C8H7N Molecular Weight: 118.139 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-PTQBSOBMSA-N Note:
N
13CH
2
Substance Label (3) Label References
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11
Clark, Adrian D.; Ha, Uyen T.; Prager, Rolf H.; Smith, Jason A.; Australian Journal of Chemistry; vol. 52; nb. 11; (1999); p. 1029 - 1033, View in Reaxys
26
Franke, Wilfried; Frenking, Gernot; Schwarz, Helmut; Wolfschuetz, Roland; Chemische Berichte; vol. 114; (1981); p. 3878 - 3895, View in Reaxys
Tab. I
Sardella, D. J.; Mahathalang, P.; Mariani, H. A.; Boger, E.; Journal of Organic Chemistry; vol. 45; nb. 11; (1980); p. 2064 - 2068, View in Reaxys
Boiling Point (1) Boiling Point [°C] 120 - 125
Pressure (Boiling Point) [Torr]
References
20
Sardella, D. J.; Mahathalang, P.; Mariani, H. A.; Boger, E.; Journal of Organic Chemistry; vol. 45; nb. 11; (1980); p. 2064 - 2068, View in Reaxys
NMR Spectroscopy (4) 1 of 4
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CCl4 scopy) Franke, Wilfried; Frenking, Gernot; Schwarz, Helmut; Wolfschuetz, Roland; Chemische Berichte; vol. 114; (1981); p. 3878 - 3895, View in Reaxys; Apeloig, Yitzhak; Franke, Wilfried; Rappoport, Zvi; Schwarz, Helmut; Stahl, Daniel; Journal of the American Chemical Society; vol. 103; nb. 10; (1981); p. 2770 - 2780, View in Reaxys 2 of 4
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CCl4 scopy) Comment (NMR Spectroscopy)
1H-1H, 13C-1H.
Franke, Wilfried; Frenking, Gernot; Schwarz, Helmut; Wolfschuetz, Roland; Chemische Berichte; vol. 114; (1981); p. 3878 - 3895, View in Reaxys 3 of 4
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CCl4 scopy) Comment (NMR Spectroscopy)
13C-1H.
Apeloig, Yitzhak; Franke, Wilfried; Rappoport, Zvi; Schwarz, Helmut; Stahl, Daniel; Journal of the American Chemical Society; vol. 103; nb. 10; (1981); p. 2770 - 2780, View in Reaxys 4 of 4
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)
13C-1H.
Sardella, D. J.; Mahathalang, P.; Mariani, H. A.; Boger, E.; Journal of Organic Chemistry; vol. 45; nb. 11; (1980); p. 2064 - 2068, View in Reaxys
Reaxys ID 2437530 View in Reaxys
12/77
N
CAS Registry Number: 15171-44-5 Chemical Name: Cyanophenyl carbene; cyano-phenyl-methanediyl; Phenyl-cyan-methylen; Phenylcyanocarben; cyano-phenyl-carbene Linear Structure Formula: C8H5N
C
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Molecular Formula: C8H5N Molecular Weight: 115.134 Type of Substance: isocyclic InChI Key: XIOSJNMXDBKBIC-UHFFFAOYSA-N Note: Substance Label (3) Label References 14
Hoj, Martin; Kvaskoff, David; Wentrup, Curt; Journal of Organic Chemistry; vol. 79; nb. 1; (2014); p. 307 313, View in Reaxys
7a
Herges, Rainer; Geuenich, Daniel; Bucher, Goetz; Toenshoff, Christina; Chemistry - A European Journal; vol. 6; nb. 7; (2000); p. 1224 - 1228, View in Reaxys
I
Petrellis; Griffin; Chemical Communications (London); (1968); p. 1099, View in Reaxys
IR Spectroscopy (2) 1 of 2
Description (IR Spectroscopy)
Bands
Hoj, Martin; Kvaskoff, David; Wentrup, Curt; Journal of Organic Chemistry; vol. 79; nb. 1; (2014); p. 307 - 313, View in Reaxys 2 of 2
Description (IR Spectroscopy)
Spectrum
Solvent (IR Spectroscopy)
gaseous matrix
Temperature (IR Spectroscopy) [°C]
-263.15
Herges, Rainer; Geuenich, Daniel; Bucher, Goetz; Toenshoff, Christina; Chemistry - A European Journal; vol. 6; nb. 7; (2000); p. 1224 - 1228, View in Reaxys ESR Spectroscopy (1) 1 of 1
Description (ESR Spectroscopy)
Spectrum
Hoj, Martin; Kvaskoff, David; Wentrup, Curt; Journal of Organic Chemistry; vol. 79; nb. 1; (2014); p. 307 - 313, View in Reaxys Quantum Chemical Calculations (1) Calculated Prop- Method (Quantum Location erties Chemical Calculations) IR bands, intensi- DFT - density ties, transition mo- functional methments; Oscillator ods strength, transition probability; Atom distances, angles
supporting information
References
Hoj, Martin; Kvaskoff, David; Wentrup, Curt; Journal of Organic Chemistry; vol. 79; nb. 1; (2014); p. 307 - 313, View in Reaxys
Reaxys ID 2582893 View in Reaxys
13/77 CAS Registry Number: 65538-26-3 Chemical Name: [1,1,2',3',4',5',6'-2H7]-phenylacetonitrile; [2H7]phenylacetonitrile; dideuterio-pentadeuteriophenyl-acetonitrile; Phenylacetonitril-d(7); Benzylcyanid-d7 Linear Structure Formula: C8N(2)H7 Molecular Formula: C8H7N Molecular Weight: 124.095 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-XZJKGWKKSA-N Note:
N 2
H 2H
2H
2H 2H
2H 2H
Substance Label (2) Label References
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4
Aboul-Enein; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 13; (1977); p. 509,510,512, View in Reaxys
keine Formelnum- Hinrichs; Kurreck; Niemeier; Tetrahedron; vol. 30; nb. 2; (1974); p. 315 - 320, View in Reaxys mer im Original Boiling Point (2) Boiling Point [°C]
Pressure (Boiling Point) [Torr]
References
110 - 120
12
Aboul-Enein; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 13; (1977); p. 509,510,512, View in Reaxys
90
10
Hinrichs; Kurreck; Niemeier; Tetrahedron; vol. 30; nb. 2; (1974); p. 315 - 320, View in Reaxys
Refractive Index (1) Refractive Index Wavelength (Refractive Index) [nm]
Temperature (Re- References fractive Index) [°C]
1.52
20
589
Hinrichs; Kurreck; Niemeier; Tetrahedron; vol. 30; nb. 2; (1974); p. 315 - 320, View in Reaxys
Reaxys ID 3718866 View in Reaxys
14/77 CAS Registry Number: 75782-32-0 Chemical Name: potassium salt of phenylacetonitrile; phenylacetonitrile; monopotassium compound; Phenyl-acetonitril; Monokaliumverbindung Linear Structure Formula: K(1+)*CH(C6H5)CN(1-)=KCH(C6H5)CN Molecular Formula: C8H6N*K Molecular Weight: 155.241 Type of Substance: isocyclic InChI Key: JJNVRLDZFINVGP-UHFFFAOYSA-N Note:
N
CH – K+
Substance Label (1) Label References IIc
Gorelik, M.V.; Titova, S.P.; Kanor, M.A.; Journal of Organic Chemistry USSR (English Translation); vol. 24; (1988); p. 1610 - 1611; Zhurnal Organicheskoi Khimii; vol. 24; nb. 8; (1988); p. 1786 - 1787, View in Reaxys
Melting Point (1) 1 of 1
Solvent (Melting Point)
benzene; petroleum ether
Rising; Muskat; Lowe; Journal of the American Chemical Society; vol. 51; (1929); p. 263, View in Reaxys Crystal Property Description (1) Colour & Other References Properties gelb
Rising; Muskat; Lowe; Journal of the American Chemical Society; vol. 51; (1929); p. 263, View in Reaxys
Reaxys ID 5810628 View in Reaxys
15/77 CAS Registry Number: 70026-36-7 Chemical Name: 2-(2,3,4,5,6-pentadeuteriophenyl)acetonitrile; pentadeuteriophenylacetonitrile; Benzyl-d5 cyanide Linear Structure Formula: C6 (2)H5CH2CN Molecular Formula: C8H7N Molecular Weight: 122.111 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-RALIUCGRSA-N Note:
N 2
H
2H
2H
2H 2
H
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Substance Label (1) Label References 1-d5
Croisat, Denis; Seyden-Penne, Jacqueline; Strzalko, Tekla; Wartski, Lya; Corset, Jacques; Froment, Francoise; Journal of Organic Chemistry; vol. 57; nb. 24; (1992); p. 6435 - 6447, View in Reaxys
IR Spectroscopy (2) 1 of 2
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
tetrahydrofuran
Comment (IR Spectroscopy)
2278 - 1305 cm**(-1)
Croisat, Denis; Seyden-Penne, Jacqueline; Strzalko, Tekla; Wartski, Lya; Corset, Jacques; Froment, Francoise; Journal of Organic Chemistry; vol. 57; nb. 24; (1992); p. 6435 - 6447, View in Reaxys 2 of 2
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent)
Comment (IR Spectroscopy)
2278 - 926 cm**(-1)
Croisat, Denis; Seyden-Penne, Jacqueline; Strzalko, Tekla; Wartski, Lya; Corset, Jacques; Froment, Francoise; Journal of Organic Chemistry; vol. 57; nb. 24; (1992); p. 6435 - 6447, View in Reaxys Raman Spectroscopy (1) Description (Ram- Comment (Raman References an Spectroscopy) Spectroscopy) Bands
neat (no solvent)
Croisat, Denis; Seyden-Penne, Jacqueline; Strzalko, Tekla; Wartski, Lya; Corset, Jacques; Froment, Francoise; Journal of Organic Chemistry; vol. 57; nb. 24; (1992); p. 6435 - 6447, View in Reaxys
Reaxys ID 3584719 View in Reaxys
16/77 O
O N
Linear Structure Formula: C14H28N2O4*C8H6N(1-)*Li(1+) Molecular Formula: C8H6N*C14H28N2O4*Li Molecular Weight: 411.471 Type of Substance: heterocyclic InChI Key: BNBZZWKFWIVXOS-UHFFFAOYSA-N Note:
N O
N CH –
O
Li+
Substance Label (1) Label References Tab.2, run 11
Antipin, Igor S.; Gareyev, Roustam F.; Vedernikov, Andrey N.; Konovalov, Alexander I.; Journal of Physical Organic Chemistry; vol. 7; nb. 4; (1994); p. 181 - 191, View in Reaxys
Electrochemical Behaviour (2) Description (Elec- References trochemical Behaviour) Electrolytic dissociation / protonation equilibrium
Antipin, Igor S.; Gareyev, Roustam F.; Vedernikov, Andrey N.; Konovalov, Alexander I.; Journal of Physical Organic Chemistry; vol. 7; nb. 4; (1994); p. 181 - 191, View in Reaxys
Stability constant
Antipin, Igor S.; Gareyev, Roustam F.; Vedernikov, Andrey N.; Konovalov, Alexander I.; Journal of Physical Organic Chemistry; vol. 7; nb. 4; (1994); p. 181 - 191, View in Reaxys
Reaxys ID 3725078 View in Reaxys
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
17/77
177/229
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Chemical Name: ThCl4 * 2 benzyl cyanide; phenyl-acetonitrile; compound with ThCl4; Phenyl-acetonitril; Verbindung mit ThCl4 Linear Structure Formula: ThCl4*2C6H5CH2CN Molecular Formula: 2C8H7N*Cl4Th Molecular Weight: 608.151 Type of Substance: isocyclic; Coordination compound InChI Key: PVBJBBKJPZQAOF-UHFFFAOYSA-J Note:
Cl 2
N
(v4)
Cl
Th Cl Cl
Melting Point (1) 1 of 1
Comment (Melting Point) Decomposition.at:130 degreeC. Perrot; Devin; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 246; (1958); p. 772, View in Reaxys
Decomposition (1) 1 of 1
Decomposition [°C]
130
Perrot, R.; Devin, C.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 246; (1958); p. 772 - 774, View in Reaxys; vol. Th: SVol.E; 1.2, page 1 - 27 ; (from Gmelin), View in Reaxys Use (1) Laboratory Use and Handling
References
very sensitive to moisture
Perrot, R.; Devin, C.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 246; (1958); p. 772 - 774, View in Reaxys; vol. Th: SVol.E; 1.2, page 1 - 27 ; (from Gmelin), View in Reaxys
Reaxys ID 3725185 View in Reaxys
18/77 Chemical Name: phenyl-acetonitrile; compound with SnCl4; Phenyl-acetonitril; Verbindung mit SnCl4 Linear Structure Formula: SnCl4*2C6H5CH2CN Molecular Formula: 2C8H7N*Cl4Sn Molecular Weight: 494.823 Type of Substance: isocyclic InChI Key: LZSGVVYSUXLKMB-UHFFFAOYSA-J Note:
Cl 2
N Cl
Sn Cl Cl
Melting Point (1) 1 of 1
Melting Point [°C]
107.5
Perrot; Devin; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 246; (1958); p. 772, View in Reaxys
Reaxys ID 5807560 View in Reaxys
19/77 CAS Registry Number: 144987-02-0 Chemical Name: <15N>phenylacetonitrile; Benzyl <15N>cyanide; [15N]-phenylacetonitrile; [15N]phenylacetonitrile Linear Structure Formula: C8H7 (15)N Molecular Formula: C8H7N Molecular Weight: 118.144 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-QBZHADDCSA-N Note:
15N
Substance Label (2) Label References 2a*
Rykowski; Wolinska; Van Der Plas; Journal of Heterocyclic Chemistry; vol. 37; nb. 4; (2000); p. 879 - 883, View in Reaxys
1
Weiner, Scott J.; Holl, Susan M.; Covey, Douglas F.; Magnetic Resonance in Chemistry; vol. 32; nb. 2; (1994); p. 122 - 127, View in Reaxys
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Boiling Point (1) Boiling Point [°C] 81 - 82
Pressure (Boiling Point) [Torr]
References
4
Kusuyama, Yoshiaki; Bulletin of the Chemical Society of Japan; vol. 65; nb. 9; (1992); p. 2546 - 2548, View in Reaxys
NMR Spectroscopy (7) 1 of 7
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CDCl3 scopy) Kusuyama, Yoshiaki; Bulletin of the Chemical Society of Japan; vol. 65; nb. 9; (1992); p. 2546 - 2548, View in Reaxys; Weiner, Scott J.; Holl, Susan M.; Covey, Douglas F.; Magnetic Resonance in Chemistry; vol. 32; nb. 2; (1994); p. 122 - 127, View in Reaxys 2 of 7
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Weiner, Scott J.; Holl, Susan M.; Covey, Douglas F.; Magnetic Resonance in Chemistry; vol. 32; nb. 2; (1994); p. 122 - 127, View in Reaxys 3 of 7
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)
15N-1H.
Weiner, Scott J.; Holl, Susan M.; Covey, Douglas F.; Magnetic Resonance in Chemistry; vol. 32; nb. 2; (1994); p. 122 - 127, View in Reaxys 4 of 7
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)
15N-13C.
Weiner, Scott J.; Holl, Susan M.; Covey, Douglas F.; Magnetic Resonance in Chemistry; vol. 32; nb. 2; (1994); p. 122 - 127, View in Reaxys 5 of 7
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- acetone-d6 scopy) Kusuyama, Yoshiaki; Bulletin of the Chemical Society of Japan; vol. 65; nb. 9; (1992); p. 2546 - 2548, View in Reaxys 6 of 7
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
15N
Solvents (NMR Spectro- CDCl3 scopy)
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Kusuyama, Yoshiaki; Bulletin of the Chemical Society of Japan; vol. 65; nb. 9; (1992); p. 2546 - 2548, View in Reaxys 7 of 7
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
15N
Solvents (NMR Spectro- acetone-d6 scopy) Kusuyama, Yoshiaki; Bulletin of the Chemical Society of Japan; vol. 65; nb. 9; (1992); p. 2546 - 2548, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Comment (IR Spectroscopy)
3067 - 614 cm**(-1)
Weiner, Scott J.; Holl, Susan M.; Covey, Douglas F.; Magnetic Resonance in Chemistry; vol. 32; nb. 2; (1994); p. 122 - 127, View in Reaxys
Reaxys ID 17059546 View in Reaxys
20/77 Chemical Name: Rh(tris(3,5-dimethylpyrazolyl)hydridoborate)Cl2(C6H5CH2CN) Linear Structure Formula: Rh(3+)*(HB(C5H7N2)3) (1-)*2Cl(1-)*(C H CH CN)=Rh(HB(C H N )3)Cl (C H CH CN) 6 5 2 5 7 2 2 6 5 2 Molecular Formula: C8H7N*C15H22BN6*2Cl*Rh Molecular Weight: 588.153 Type of Substance: Coordination compound InChI Key: XKHQXWZQSZQQML-UHFFFAOYSA-M Note:
2 Cl – Rh 3+
N
N N N
BH– N
N
N
Melting Point (1) 1 of 1
Melting Point [°C]
360
May, S. M.; Reinsalu, P.; Powell, J.; Inorganic Chemistry; vol. 19; (1980); p. 1582 - 1589, View in Reaxys; vol. Rh: SVol.B2; 2.6.8, page 245 - 249 ; (from Gmelin), View in Reaxys Crystal Phase (1) Description (Crys- References tal Phase) prisms
May, S. M.; Reinsalu, P.; Powell, J.; Inorganic Chemistry; vol. 19; (1980); p. 1582 - 1589, View in Reaxys; vol. Rh: SVol.B2; 2.6.8, page 245 - 249 ; (from Gmelin), View in Reaxys
Crystal Property Description (1) Colour & Other References Properties golden
May, S. M.; Reinsalu, P.; Powell, J.; Inorganic Chemistry; vol. 19; (1980); p. 1582 - 1589, View in Reaxys; vol. Rh: SVol.B2; 2.6.8, page 245 - 249 ; (from Gmelin), View in Reaxys
NMR Spectroscopy (2) 1 of 2
Nucleus (NMR Spectroscopy)
1H
Comment (NMR Spectroscopy)
Y
May, S. M.; Reinsalu, P.; Powell, J.; Inorganic Chemistry; vol. 19; (1980); p. 1582 - 1589 ; (from Gmelin), View in Reaxys 2 of 2
Nucleus (NMR Spectroscopy)
1H
Comment (NMR Spectroscopy)
description given
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vol. Rh: SVol.B2; 2.6.8, page 245 - 249 ; (from Gmelin), View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
not given
Signals [cm-1]
2230
May, S. M.; Reinsalu, P.; Powell, J.; Inorganic Chemistry; vol. 19; (1980); p. 1582 - 1589, View in Reaxys; vol. Rh: SVol.B2; 2.6.8, page 245 - 249 ; (from Gmelin), View in Reaxys
Reaxys ID 1938580 View in Reaxys
21/77 CAS Registry Number: 73428-98-5 Chemical Name: phenyl-[3 H]acetonitrile Linear Structure Formula: C8H6TN Molecular Formula: C8H7N Molecular Weight: 119.142 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-NGIXYFTOSA-N Note:
N
3H
NMR Spectroscopy (1) 1 of 1
Description (NMR Spec- Spin-spin coupling constants troscopy) Comment (NMR Spectroscopy)
3H-NMR
Bloxsidge et al.; Organic Magnetic Resonance; vol. 12; (1979); p. 574,575, View in Reaxys
Reaxys ID 1940647 View in Reaxys
22/77 CAS Registry Number: 42006-63-3 Chemical Name: phenylacetonitrile-α-14C; phenyl-[2-14 C]acetonitrile; <2-14C>-Phenylacetonitril Linear Structure Formula: C7 (14)CH7N Molecular Formula: C8H7N Molecular Weight: 119.139 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-ZQBYOMGUSA-N Note:
N
14
CH 2
Boiling Point (1) Boiling Point [°C] 79 - 80
Pressure (Boiling Point) [Torr]
References
4
Miller, David J.; Subramanian, Rm.; Saunders, William H.; Journal of the American Chemical Society; vol. 103; nb. 12; (1981); p. 3519 - 3522, View in Reaxys
Reaxys ID 2087699 View in Reaxys
23/77 CAS Registry Number: 53897-46-4 Chemical Name: (2,6-dideuterio-phenyl)-acetonitrile; o,o'-Dideuterobenzylcyanid; 2,6-D(2)-Benzylcyanid Linear Structure Formula: C8H5D2N Molecular Formula: C8H7N Molecular Weight: 119.134
N 2
H
2
H
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Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-KFRNQKGQSA-N Note: Further Information (1) Description (Fur- References ther Information) Further information
Molenaer-Langeveld et al.; Organic Mass Spectrometry; vol. 5; (1971); p. 725,728, View in Reaxys
Mass Spectrometry (1) References Molenaer-Langeveld et al.; Organic Mass Spectrometry; vol. 5; (1971); p. 725,728, View in Reaxys; Nibbering; deBoer; Tetrahedron; vol. 24; (1968); p. 1435, View in Reaxys
Reaxys ID 3722850 View in Reaxys
24/77 Chemical Name: vanadium (IV) chloride * 2 benzylcyanide; Vanadium(IV)-Chlorid * 2 Benzylcyanid Linear Structure Formula: VCl4*2C6H5CH2CN Molecular Formula: 2C8H7N*Cl4V Molecular Weight: 427.054 Type of Substance: isocyclic InChI Key: JCMFKFLVAVCQTC-UHFFFAOYSA-J Note:
Cl 2
N
(v4)
Cl
Sublimation (1) Sublimation [°C] 80
V Cl Cl
Pressure (Sublimation) [Torr]
References
0.3 - 0.5
Funk, H.; Mohaupt, G.; Paul, A.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 302; (1959); p. 199 - 210, View in Reaxys; vol. V: MVol.B2; 193, page 783 - 784 ; (from Gmelin), View in Reaxys
Crystal Property Description (2) Colour & Other Comment (Crystal References Properties Property Description) blue
C6H6, ether or ni- Funk, H.; Mohaupt, G.; Paul, A.; Zeitschrift fuer Anorganische und Allgemeine Chemie; triles vol. 302; (1959); p. 199 - 210, View in Reaxys; vol. V: MVol.B2; 193, page 783 - 784 ; (from Gmelin), View in Reaxys
blueblack
Funk, H.; Mohaupt, G.; Paul, A.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 302; (1959); p. 199 - 210, View in Reaxys; vol. V: MVol.B2; 193, page 783 - 784 ; (from Gmelin), View in Reaxys
Solubility (MCS) (1) 1 of 1
Comment (Solubility (MCS))
soluble in C6H6, ether and nitriles;
Funk, H.; Mohaupt, G.; Paul, A.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 302; (1959); p. 199 - 210, View in Reaxys; vol. V: MVol.B2; 193, page 783 - 784 ; (from Gmelin), View in Reaxys Use (1) Laboratory Use and Handling
References
very sensitive to moisture;
Funk, H.; Mohaupt, G.; Paul, A.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 302; (1959); p. 199 - 210, View in Reaxys; vol. V: MVol.B2; 193, page 783 - 784 ; (from Gmelin), View in Reaxys
Reaxys ID 3741502 View in Reaxys
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
25/77
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Chemical Name: vanadium (V) oxide chloride * 2 benzylcyanide; Vanadium(V)-Oxidchlorid * 2 Benzylcyanid Linear Structure Formula: VOCl3*2C6H5CH2CN Molecular Formula: 2C8H7N*Cl3OV Molecular Weight: 407.6 Type of Substance: isocyclic InChI Key: GTNWFBOXIPGDBT-UHFFFAOYSA-K Note:
Cl 2
(v5)
N
V Cl
Cl
O
Crystal Phase (1) Description (Crys- References tal Phase) needles
Funk, H.; Weiss, W.; Zeising, M.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 296; (1958); p. 36 - 45, View in Reaxys; vol. V: MVol.B2; 209, page 817 - 819 ; (from Gmelin), View in Reaxys
Crystal Property Description (1) Colour & Other References Properties black
Funk, H.; Weiss, W.; Zeising, M.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 296; (1958); p. 36 - 45, View in Reaxys; vol. V: MVol.B2; 209, page 817 - 819 ; (from Gmelin), View in Reaxys
Use (1) Laboratory Use and Handling
References
sensitive to moisture;
Funk, H.; Weiss, W.; Zeising, M.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 296; (1958); p. 36 - 45, View in Reaxys; vol. V: MVol.B2; 209, page 817 - 819 ; (from Gmelin), View in Reaxys
Reaxys ID 5665839 View in Reaxys N
C–
26/77 (2)HN(1-)*Li(1+)
Linear Structure Formula: C8H5 Molecular Formula: C8H6N*Li Molecular Weight: 124.075 Type of Substance: isocyclic InChI Key: SOIITMWYFLHDPF-FNZLVDGMSA-N Note:
Li+
2H
Association (MCS) (2) 1 of 2
Description (Association Association with compound (MCS)) Solvent (Association (MCS))
tetrahydrofuran; hexane
Comment (Association (MCS))
Ratio of solvents: THF:hexane=65:35
Partner (Association (MCS))
n-butyllithium
Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 2 of 2
Description (Association IR spectrum of the complex (MCS)) Solvent (Association (MCS))
tetrahydrofuran; hexane
Comment (Association (MCS))
Ratio of solvents: THF:hexane=65:35
Partner (Association (MCS))
n-butyllithium
Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys IR Spectroscopy (2)
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1 of 2
Description (IR Spectroscopy)
Spectrum
Solvent (IR Spectroscopy)
various solvents
Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 2 of 2
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
various solvents
Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys
Reaxys ID 8171587 View in Reaxys
N
27/77
N
N
N
N
Chemical Name: tetracyanobenzene and benzyl cyanide adduct (1:2) Linear Structure Formula: C10H2N4*2C8H7N Molecular Formula: 2C8H7N*C10H2N4 Molecular Weight: 412.453 Type of Substance: isocyclic InChI Key: KJINSCCNMDBXAC-UHFFFAOYSA-N Note:
2
Substance Label (2) Label References TCNB*BzCN
Ito, Yoshikatsu; Nakabayashi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p. 7139 - 7152, View in Reaxys
1
Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys
Density (1) 1 of 1
Density [g·cm-3]
1.238
Type (Density)
crystallographic
Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys; Ito, Yoshikatsu; Nakabayashi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p. 7139 - 7152, View in Reaxys Crystal Phase (2) Description (Crys- References tal Phase) Crystal structure determination; Interplanar spacing
Ito, Yoshikatsu; Nakabayashi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p. 7139 - 7152, View in Reaxys
Crystal structure determination
Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys
Crystal System (1) Crystal System References triclinic
Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys; Ito, Yoshikatsu; Nakabayashi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p. 7139 - 7152, View in Reaxys
Interatomic Distances and Angles (1) Description Comment (Intera- References tomic Distances and Angles) Interatomic disMethod of detertances and angles mination: Single
Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys; Ito, Yoshikatsu; Nakabaya-
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crystal X-ray diffraction Space Group (1) Space Group 2
shi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p. 7139 - 7152, View in Reaxys
References Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys; Ito, Yoshikatsu; Nakabayashi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p. 7139 - 7152, View in Reaxys
IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
KBr
Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys; Ito, Yoshikatsu; Nakabayashi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p. 7139 - 7152, View in Reaxys UV/VIS Spectroscopy (2) 1 of 2
Solvent (UV/VIS Spectroscopy)
solid
Absorption Maxima (UV/ 367 VIS) [nm] Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys 2 of 2
Description (UV/VIS Spectroscopy)
Reflection spectrum
Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys
Reaxys ID 16470938 View in Reaxys H2 C
N
28/77 Linear Structure Formula: (C6H5)CH2CN*BBr3 Molecular Formula: BBr3*C8H7N Molecular Weight: 367.673 InChI Key: SHCDANKTKASSDO-UHFFFAOYSA-N Note:
Br B
Br
Br
Reaxys ID 16974065 View in Reaxys
29/77 Chemical Name: copper(I) chloride * 2 phenyl acetonitrile; Kupfer(I)-chlorid * 2 Phenylessigsaeurenitril Linear Structure Formula: CuCl*2C6H5CH2CN Molecular Formula: 2C8H7N*ClCu Molecular Weight: 333.3 InChI Key: BCSBAKCDZVTJBW-UHFFFAOYSA-N Note:
N 2
ClCu
Crystal Property Description (1) Colour & Other References Properties white
Rabaut, C.; Bulletin de la Societe Chimique de France; vol. 19; (1898); p. 785 - 788, View in Reaxys; vol. Cu: MVol.B1; 111, page 242 - 244 ; (from Gmelin), View in Reaxys
Solubility (MCS) (1) 1 of 1
Comment (Solubility (MCS))
insol. in H2O and neutral solvents;
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Rabaut, C.; Bulletin de la Societe Chimique de France; vol. 19; (1898); p. 785 - 788, View in Reaxys; vol. Cu: MVol.B1; 111, page 242 - 244 ; (from Gmelin), View in Reaxys
Reaxys ID 17065663 View in Reaxys
2
30/77 Linear Structure Formula: Rh(3+)*3Cl(1-)*2C6H5CH2CN Molecular Formula: 2C8H7N*3Cl*Rh Molecular Weight: 443.565 Type of Substance: Coordination compound InChI Key: WIWAANLYTHWIGI-UHFFFAOYSA-M Note:
3 – Rh 3+ Cl
N
Reaxys ID 17767764 View in Reaxys
31/77 CAS Registry Number: 176716-18-0; 70084-14-9 Linear Structure Formula: NbCl5*C6H5CH2CN Molecular Formula: C8H7N*Cl5Nb Molecular Weight: 387.322 Type of Substance: Coordination compound InChI Key: NNUNXMSOJLMQOP-UHFFFAOYSA-I Note:
Cl
Cl
(v5)
N
Cl Nb Cl Cl
Crystal Property Description (1) Colour & Other References Properties brown
Lee, G. Robert; Crayston, Joe A.; Polyhedron; vol. 15; nb. 11; (1996); p. 1817 - 1821 ; (from Gmelin), View in Reaxys
NMR Spectroscopy (1) 1 of 1
Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- not given scopy) Comment (NMR Spectroscopy)
Signals given
Lee, G. Robert; Crayston, Joe A.; Polyhedron; vol. 15; nb. 11; (1996); p. 1817 - 1821 ; (from Gmelin), View in Reaxys NQR Spectroscopy (3) Description (NQR Nucleus (NQR Spectroscopy) Spectroscopy)
References
35Cl
Kuz'min, A. I.; Chizhikova, S. M.; Denisova, G. M.; Zviadadze, G. N.; Dzevitskii, B. E.; Kuznetsov, S. I.; Russian Journal of Physical Chemistry (Translation of Zhurnal Fizicheskoi Khimii); vol. 53; (1979); p. 77 - 80; Zhurnal Fizicheskoi Khimii; vol. 53; (1979); p. 150 - 154 ; (from Gmelin), View in Reaxys
37Cl
Kuz'min, A. I.; Chizhikova, S. M.; Denisova, G. M.; Zviadadze, G. N.; Dzevitskii, B. E.; Kuznetsov, S. I.; Russian Journal of Physical Chemistry (Translation of Zhurnal Fizicheskoi Khimii); vol. 53; (1979); p. 77 - 80; Zhurnal Fizicheskoi Khimii; vol. 53; (1979); p. 150 - 154 ; (from Gmelin), View in Reaxys
Nuclear quadru93Nb pole coupling constants
Kuz'min, A. I.; Chizhikova, S. M.; Denisova, G. M.; Zviadadze, G. N.; Dzevitskii, B. E.; Kuznetsov, S. I.; Russian Journal of Physical Chemistry (Translation of Zhurnal Fizicheskoi Khimii); vol. 53; (1979); p. 77 - 80; Zhurnal Fizicheskoi Khimii; vol. 53; (1979); p. 150 - 154 ; (from Gmelin), View in Reaxys
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Reaxys ID 1938581 View in Reaxys
32/77 CAS Registry Number: 6726-74-5 Chemical Name: [3-3 H]phenyl-acetonitrile; Phenyl-3-3H-acetonitril Linear Structure Formula: C8H6TN Molecular Formula: C8H7N Molecular Weight: 119.142 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-FUPOQFPWSA-N Note:
N
3H
Boiling Point (1) Boiling Point [°C] 86 - 87
Pressure (Boiling Point) [Torr]
References
7
Blackburn; Burghard; Journal of Labelled Compounds; vol. 2; (1966); p. 62,66, View in Reaxys
Reaxys ID 3710932 View in Reaxys
33/77 Chemical Name: phenyl-acetonitrile; compound with boron trifluoride; Phenyl-acetonitril; Verbindung mit Bortrifluorid Linear Structure Formula: C8H7N*BF3 Molecular Formula: BF3*C8H7N Molecular Weight: 184.956 Type of Substance: isocyclic InChI Key: DWFJJILIBKWOOO-UHFFFAOYSA-N Note:
N F
F B F
Reaxys ID 3725086 View in Reaxys
34/77 Chemical Name: phenyl-acetonitrile; compound with TiCl4; Phenyl-acetonitril; Verbindung mit TiCl4 Linear Structure Formula: 2C8H7N*Cl4Ti Molecular Formula: 2C8H7N*Cl4Ti Molecular Weight: 423.993 Type of Substance: isocyclic InChI Key: IBLISCLZKUXPFW-UHFFFAOYSA-J Note:
Cl 2
N
(v4)
Ti Cl
Cl Cl
Melting Point (1) 1 of 1
Melting Point [°C]
153.5
Perrot; Devin; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 246; (1958); p. 772, View in Reaxys Crystal Property Description (1) Colour & Other References Properties gelb
Perrot; Devin; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 246; (1958); p. 772, View in Reaxys
Reaxys ID 3725214 View in Reaxys
35/77 Chemical Name: phenyl-acetonitrile; compound with ZrCl4; Phenyl-acetonitril; Verbindung mit ZrCl4 Linear Structure Formula: 2C8H7N*Cl4Zr Molecular Formula: 2C8H7N*Cl4Zr
Cl 2
N
(v4)
Cl
Zr Cl Cl
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Molecular Weight: 467.337 Type of Substance: isocyclic InChI Key: MDZWTMZZFBDIPX-UHFFFAOYSA-J Note: Melting Point (1) 1 of 1
Comment (Melting Point) Decomposition.at:140 degreeC. Perrot; Devin; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 246; (1958); p. 772, View in Reaxys
Reaxys ID 4020112 View in Reaxys
36/77 Linear Structure Formula: C8H7N*CF3I Molecular Formula: CF3I*C8H7N Molecular Weight: 313.061 Type of Substance: isocyclic InChI Key: ICHWHDRTLVDBTK-UHFFFAOYSA-N Note:
N F
F
I
F
Substance Label (1) Label References CF3I*D
Spaziante; Gutmann; Inorganica Chimica Acta; vol. 5; nb. C; (1971); p. 273 - 275, View in Reaxys
NMR Spectroscopy (1) 1 of 1
Description (NMR Spec- NMR troscopy) Comment (NMR Spectroscopy)
19F
Spaziante; Gutmann; Inorganica Chimica Acta; vol. 5; nb. C; (1971); p. 273 - 275, View in Reaxys
Reaxys ID 4035964 View in Reaxys
37/77 Linear Structure Formula: C8H7N*CH3AlCl2 Molecular Formula: CH3AlCl2*C8H7N Molecular Weight: 230.073 Type of Substance: isocyclic InChI Key: WRUUOGAYFZHNJH-UHFFFAOYSA-L Note:
N Cl
Cl Al
Substance Label (1) Label References Komplex 1
Pasynkiewicz et al.; Justus Liebigs Annalen der Chemie; (1975); p. 636,640, View in Reaxys
IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
IR
Pasynkiewicz et al.; Justus Liebigs Annalen der Chemie; (1975); p. 636,640, View in Reaxys
Reaxys ID 4039495 View in Reaxys N
38/77 Linear Structure Formula: C12H27BS*C8H7N Molecular Formula: C8H7N*C12H27BS Molecular Weight: 331.374 Type of Substance: isocyclic InChI Key: ZTXLUUGCHOBPHM-UHFFFAOYSA-N Note:
S B
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Substance Label (1) Label References Komplex VIII
Mukaiyama,T. et al.; Tetrahedron Letters; (1971); p. 1097 - 1100, View in Reaxys
IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
IR
Mukaiyama,T. et al.; Tetrahedron Letters; (1971); p. 1097 - 1100, View in Reaxys
Reaxys ID 4347859 View in Reaxys
CAS Registry Number: 131354-98-8 Linear Structure Formula: C33H31NO6*C8H7N Molecular Formula: C8H7N*C33H31NO6 Molecular Weight: 654.763 Type of Substance: heterocyclic InChI Key: XOTJCIFSBXEGCO-UHFFFAOYSA-N Note:
N
O
N
39/77
O
O
O
O
O
Reaxys ID 4935093 View in Reaxys
40/77 Chemical Name: phenyl-acetonitrile; compound with beryllium chloride; Phenyl-acetonitril; Verbindung mit Beryllium-chlorid Linear Structure Formula: 2C8H7N*BeCl2 Molecular Formula: 2C8H7N*BeCl2 Molecular Weight: 314.219 Type of Substance: isocyclic InChI Key: LWDUCBHKYDRULT-UHFFFAOYSA-N Note:
N
2
BeCl 2
Melting Point (1) 1 of 1
Melting Point [°C]
151.5
Fricke; Roebke; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 170; (1928); p. 33, View in Reaxys Crystal Property Description (1) Colour & Other References Properties Nadeln
Fricke; Roebke; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 170; (1928); p. 33, View in Reaxys
Liquid/Solid Systems (MCS) (1) 1 of 1
Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]
-31
Partner (Liquid/Solid Systems (MCS))
phenylacetonitrile
Fricke; Roebke; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 170; (1928); p. 33, View in Reaxys
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Reaxys ID 5474558 View in Reaxys
41/77
O
CAS Registry Number: 140149-25-3 Linear Structure Formula: C56H38O6*3C8H7N Molecular Formula: 3C8H7N*C56H38O6 Molecular Weight: 1158.36 Type of Substance: heterocyclic InChI Key: OXKMKQBLNAMQHR-UHFFFAOYSA-N Note:
O
O
N 3
O
O
O
Substance Label (1) Label References 4*3BlzCN
Berscheid, Ralf; Nieger, Martin; Voegtle, Fritz; Chemische Berichte; vol. 125; nb. 7; (1992); p. 1687 - 1696, View in Reaxys
Density (1) 1 of 1
Density [g·cm-3]
1.235
Type (Density)
crystallographic
Berscheid, Ralf; Nieger, Martin; Voegtle, Fritz; Chemische Berichte; vol. 125; nb. 7; (1992); p. 1687 - 1696, View in Reaxys Crystal Phase (1) Description (Crys- Comment (Crystal References tal Phase) Phase) Crystal structure determination
β=91.3 grad, Berscheid, Ralf; Nieger, Martin; Voegtle, Fritz; Chemische Berichte; vol. 125; nb. 7; a=12.95 Ang(1992); p. 1687 - 1696, View in Reaxys stroem, b=17.34 Angstroem, c=27.76 Angstroem, n=4.; Temperature: 193 K. Method of determination: Single Crystal X-ray Diffraction
Crystal System (1) Crystal System References monoclinic
Berscheid, Ralf; Nieger, Martin; Voegtle, Fritz; Chemische Berichte; vol. 125; nb. 7; (1992); p. 1687 - 1696, View in Reaxys
Interatomic Distances and Angles (1) Description References Interatomic disBerscheid, Ralf; Nieger, Martin; Voegtle, Fritz; Chemische Berichte; vol. 125; nb. 7; (1992); p. 1687 - 1696, tances and angles View in Reaxys Space Group (1) Space Group 14
References Berscheid, Ralf; Nieger, Martin; Voegtle, Fritz; Chemische Berichte; vol. 125; nb. 7; (1992); p. 1687 - 1696, View in Reaxys
IR Spectroscopy (2) 1 of 2
Description (IR Spectroscopy)
Spectrum
Solvent (IR Spectroscopy)
KBr
Comment (IR Spectroscopy)
2400 - 2000 cm**(-1)
Berscheid, Ralf; Nieger, Martin; Voegtle, Fritz; Chemische Berichte; vol. 125; nb. 7; (1992); p. 1687 - 1696, View in Reaxys
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2 of 2
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
KBr
Comment (IR Spectroscopy)
2250 - 731 cm**(-1)
Berscheid, Ralf; Nieger, Martin; Voegtle, Fritz; Chemische Berichte; vol. 125; nb. 7; (1992); p. 1687 - 1696, View in Reaxys
Reaxys ID 5510297 View in Reaxys 1
42/77 CAS Registry Number: 140-29-4 Linear Structure Formula: C8H7N(1+) Molecular Formula: C8H7N Molecular Weight: 117.15 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-UHFFFAOYSA-N Note:
1 N
Substance Label (1) Label References 15, Radikalkation
Rudenko, A.P.; Sarubin, M.Ja.; Journal fuer Praktische Chemie (Leipzig); vol. 325; nb. 3; (1983); p. 405 - 416, View in Reaxys
Reaxys ID 5697947 View in Reaxys
43/77 Linear Structure Formula: C8H6 (2)HN*C6H14N(1-)*Li(1+) Molecular Formula: C6H14N*C8H7N*Li Molecular Weight: 225.267 Type of Substance: isocyclic InChI Key: PUPQQAAQATZFQW-VCTVCYILSA-N Note:
N
Li+ N–
2H
Substance Label (1) Label References 5*LDA
Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Boche, Gernot; Angewandte Chemie; vol. 101; nb. 10; (1989); p. 1424 - 1425, View in Reaxys
Reaxys ID 5713232 View in Reaxys 2
N
CH –
44/77 Linear Structure Formula: C8H6N(1-)*2C6H16N2*C6H14N(1-)*2Li(1+) Molecular Formula: C6H14N*2C6H16N2*C8H6N*2Li Molecular Weight: 462.621 Type of Substance: isocyclic InChI Key: RZCIXCSVACUGMA-UHFFFAOYSA-N Note:
N N
N– 2 Li+
Substance Label (1) Label References 4*LDA*2TMDA
Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Boche, Gernot; Angewandte Chemie; vol. 101; nb. 10; (1989); p. 1424 - 1425, View in Reaxys
Density (1)
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1 of 1
Density [g·cm-3]
0.972
Type (Density)
crystallographic
Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Boche, Gernot; Angewandte Chemie; vol. 101; nb. 10; (1989); p. 1424 - 1425, View in Reaxys Crystal Phase (1) Description (Crys- Comment (Crystal References tal Phase) Phase) Crystal structure determination
α=77.2 grad, Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Boche, Gernot; Angewandte β=73.5 grad, Chemie; vol. 101; nb. 10; (1989); p. 1424 - 1425, View in Reaxys χ=87.2 grad, a=9.97 Angstroem, b=11.97 Angstroem, c=14.17 Angstroem, n=2.; Temperature: -10 C. Method of determination: X-ray Diffraction
Crystal System (1) Crystal System References triclinic
Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Boche, Gernot; Angewandte Chemie; vol. 101; nb. 10; (1989); p. 1424 - 1425, View in Reaxys
Interatomic Distances and Angles (1) Description References Interatomic disZarges, Wolfgang; Marsch, Michael; Harms, Klaus; Boche, Gernot; Angewandte Chemie; vol. 101; nb. 10; tances and angles (1989); p. 1424 - 1425, View in Reaxys Space Group (1) Space Group 2
References Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Boche, Gernot; Angewandte Chemie; vol. 101; nb. 10; (1989); p. 1424 - 1425, View in Reaxys
Reaxys ID 6886984 View in Reaxys
45/77 O
H
Linear Structure Formula: C18H14O4*C8H7N Molecular Formula: C8H7N*C18H14O4 Molecular Weight: 411.457 Type of Substance: isocyclic InChI Key: WNAKQDDBWPPWNV-AEHWYBPMSA-N Note:
OH
T-4 N
OH
H T-4 O racemate
Substance Label (1) Label References 1*PhCH2CN
Czugler, Matyas; Weber, Edwin; Ahrendt, Jochen; Journal of the Chemical Society, Chemical Communications; nb. 24; (1984); p. 1632 - 1634, View in Reaxys
Decomposition (1) 1 of 1
Decomposition [°C]
195 - 200
Czugler, Matyas; Weber, Edwin; Ahrendt, Jochen; Journal of the Chemical Society, Chemical Communications; nb. 24; (1984); p. 1632 - 1634, View in Reaxys
Reaxys ID 6886996 View in Reaxys
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46/77
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Linear Structure Formula: C18H14O4*2C8H7N Molecular Formula: 2C8H7N*C18H14O4 Molecular Weight: 528.607 Type of Substance: isocyclic InChI Key: WNAKQDDBWPPWNV-HHUWWSNMSA-N Note:
O H
OH
T-4 2
N
H
OH
T-4 O
Substance Label (1) Label References 2*2(PhCH2CN)
Czugler, Matyas; Weber, Edwin; Ahrendt, Jochen; Journal of the Chemical Society, Chemical Communications; nb. 24; (1984); p. 1632 - 1634, View in Reaxys
Decomposition (1) 1 of 1
Decomposition [°C]
185 - 200
Czugler, Matyas; Weber, Edwin; Ahrendt, Jochen; Journal of the Chemical Society, Chemical Communications; nb. 24; (1984); p. 1632 - 1634, View in Reaxys
Reaxys ID 7618735 View in Reaxys
47/77 O
Linear Structure Formula: C56H38O6*C8H7N Molecular Formula: C8H7N*C56H38O6 Molecular Weight: 924.064 Type of Substance: heterocyclic InChI Key: OXKMKQBLNAMQHR-UHFFFAOYSA-N Note:
O
O
N O
O
O
Crystal Phase (1) Description (Crys- References tal Phase) Crystal structure determination
Voegtle, Fritz; Michel, Ingo; Berscheid, Ralf; Nieger, Martin; Rissanen, Kari; Kotila, Sirpa; Airola, Karri; Armaroli, Nicola; Maestri, Mauro; Balzani, Vincenzo; Liebigs Annales; nb. 11; (1996); p. 1697 - 1704, View in Reaxys
Interatomic Distances and Angles (1) Description References Interatomic disVoegtle, Fritz; Michel, Ingo; Berscheid, Ralf; Nieger, Martin; Rissanen, Kari; Kotila, Sirpa; Airola, Karri; tances and angles Armaroli, Nicola; Maestri, Mauro; Balzani, Vincenzo; Liebigs Annales; nb. 11; (1996); p. 1697 - 1704, View in Reaxys
Reaxys ID 8400564 View in Reaxys
48/77 Chemical Name: Guaiacol; phenylacetonitrile; phenol; mixture of; 15 : 100 : 35 Type of Substance: mixture (composition partially given) Composition: Comp. Name: phenylacetonitrile; 2-methoxyphenol; phenol Note:
No Structure
Ecotoxicology (1) 1 of 1
Effect (Ecotoxicology)
behavioral symtoms
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Species or Test-System (Ecotoxicology)
Schistocerca gregaria (Forskal), Acrididae
Concentration (Ecotoxicology)
37.5 - 600 ng
Exposure Period (Ecotoxicology)
15 min
Method (Ecotoxicology)
glass olfactometer; fifth instar nymphs, 3-5 d after molt; young adults, 4-10 d after molt; older adults, 18-25 d after molt
Results
aggregation index; dose-response relationship
Obeng-Ofori; Torto; Njagi; Hassanali; Amiani; Journal of Chemical Ecology; vol. 20; nb. 8; (1994); p. 2077 - 2087, View in Reaxys
Reaxys ID 8400640 View in Reaxys
49/77 Chemical Name: cis-3-Hexenyl acetate; benzaldehyde; phenylacetaldehyde; alcohols, 2; phenylacetonitrile; benzyl benzoate; mixture of; ratio 4 : 8 : 14 : 8 : 19 : 11 Type of Substance: mixture (composition partially given) Composition: Comp. Name: phenylacetaldehyde; phenylacetonitrile; benzaldehyde; (Z)-3-hexenyl acetate; benzoic acid benzyl ester; Alcohols, 2; mixture of Note:
No Structure
Ecotoxicology (1) 1 of 1
Effect (Ecotoxicology)
behavioral symtoms
Endpoint of Effect (Ecotoxicology)
attraction
Species or Test-System (Ecotoxicology)
Anomala octiescostata, scarab beetle
Concentration (Ecotoxicology)
500 mg/trap
Method (Ecotoxicology)
field assay; funnel JT trap; May 3-9, 1993; Edosaki Country Club, Ibaraki, Japan
Results
ca. 100 beetles/trap/day
Leal; Ono; Hasegawa; Sawada; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1697 - 1704, View in Reaxys
Reaxys ID 8400659 View in Reaxys
50/77 Chemical Name: Phenylacetonitrile; benzaldehyde; guaiacol; phenol; mixture of; ratio 100 : 15 : 4 : 4 Type of Substance: mixture (composition partially given) Composition: Comp. Name: phenylacetonitrile; benzaldehyde; 2-methoxy-phenol; phenol Note:
No Structure
Substance Label (1) Label References PA+BA+GA+PN
Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys
Ecotoxicology (1) 1 of 1
Effect (Ecotoxicology)
behavioral symtoms
Endpoint of Effect (Ecotoxicology)
aggregation
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Species or Test-System (Ecotoxicology)
Schistocerca gregaria (Forksal), desert locust
Sex
male and female
Concentration (Ecotoxicology)
25 - 250 LH
Method (Ecotoxicology)
older adults, 18-25 days after molt; young adults, 4-10 days after molt; fifth instar nymphs, 3-5 days after molt; glass olfactometer
Further Details (Ecotoxi- 1 LH - volatiles emitted by one locust for 1 hour cology) Results
aggregation index (mean over dose range): young 69, older 69; no effect from fifth instar nymphs
Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys
Reaxys ID 8400660 View in Reaxys
51/77 Chemical Name: Phenylacetonitrile; guaiacol; phenol; mixture of; ratio 100 : 4 : 4 Type of Substance: mixture (composition partially given) Composition: Comp. Name: phenylacetonitrile; 2-methoxyphenol; phenol Note:
No Structure
Substance Label (1) Label References PA+GA+PN
Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys
Ecotoxicology (1) 1 of 1
Effect (Ecotoxicology)
behavioral symtoms
Endpoint of Effect (Ecotoxicology)
aggregation
Species or Test-System (Ecotoxicology)
Schistocerca gregaria (Forksal), desert locust
Sex
male and female
Concentration (Ecotoxicology)
25 - 250 LH
Method (Ecotoxicology)
older adults, 18-25 days after molt; young adults, 4-10 days after molt; fifth instar nymphs, 3-5 days after molt; glass olfactometer
Further Details (Ecotoxi- 1 LH - volatiles emitted by one locust for 1 hour cology) Results
aggregation index (mean over dose range): young 65, older 67; no effect from fifth instar nymphs
Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys
Reaxys ID 8400661 View in Reaxys
52/77 Chemical Name: Phenylacetonitrile; veratrole; anisole; mixture of; ratio 100 : 6 : 5 Type of Substance: mixture (composition partially given) Composition: Comp. Name: phenylacetonitrile; methoxybenzene; 1,2-dimethoxy-benzene
No Structure
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Note: Substance Label (1) Label References PA+VT+AS
Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys
Ecotoxicology (1) 1 of 1
Effect (Ecotoxicology)
behavioral symtoms
Endpoint of Effect (Ecotoxicology)
aggregation
Species or Test-System (Ecotoxicology)
Schistocerca gregaria (Forksal), desert locust
Sex
male and female
Concentration (Ecotoxicology)
25 - 250 LH
Method (Ecotoxicology)
older adults, 18-25 days after molt; young adults, 4-10 days after molt; fifth instar nymphs, 3-5 days after molt; glass olfactometer
Further Details (Ecotoxi- 1 LH - volatiles emitted by one locust for 1 hour cology) Results
aggregation index (mean over dose range): young 65, older 66; no effect from fifth instar nymphs
Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys
Reaxys ID 8400662 View in Reaxys
53/77 Chemical Name: Phenylacetonitrile; benzaldehyde; veratrole; anisole; guaiacol; phenol; mixture of; ratio 100 : 15 : 6 : 5 : 4 : 4 Type of Substance: mixture (composition partially given) Composition: Comp. Name: phenylacetonitrile; benzaldehyde; methoxybenzene; 2-methoxy-phenol; phenol; 1,2-dimethoxybenzene Note:
No Structure
Substance Label (1) Label References PA+BA+VT+AS +GA+PN
Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys
Ecotoxicology (1) 1 of 1
Effect (Ecotoxicology)
behavioral symtoms
Endpoint of Effect (Ecotoxicology)
aggregation
Species or Test-System (Ecotoxicology)
Schistocerca gregaria (Forksal), desert locust
Sex
male and female
Concentration (Ecotoxicology)
25 - 250 LH
Method (Ecotoxicology)
older adults, 18-25 days after molt; young adults, 4-10 days after molt; fifth instar nymphs, 3-5 days after molt; glass olfactometer
Further Details (Ecotoxi- 1 LH - volatiles emitted by one locust for 1 hour cology) Results
aggregation index (mean over dose range): young 61, older 64; no effect from fifth instar nymphs; no significant difference between males and females
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Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys
Reaxys ID 8476286 View in Reaxys
54/77 Chemical Name: synthetic blend Type of Substance: mixture (composition partially given) Composition: Comp. Name: phenylacetaldehyde; phenylacetonitrile; benzaldehyde; benzyl alcohol; 2-phenyl-ethanol Note:
No Structure
Ecotoxicology (1) 1 of 1
Effect (Ecotoxicology)
behavioral symtoms
Species or Test-System (Ecotoxicology)
Pieris rapae crucivora, cabbage butterfly
Sex
male and female
Concentration (Ecotoxicology)
25.3 μg
Kind of Dosing (Ecotoxi- title mixture prepared to approximate blend ratios of components found in Brassica rapa cology) extracts; dissolv. in CH2Cl2 Method (Ecotoxicology)
attraction to artificial flower test; adult butterflies; 50-ml Erlenmeyer flask filled with water; title mix. appled to paper towel put in flask; 2 treat. and 2 control flowers placed in exper. area; number of alightings followed by PER during 30 min
Further Details (Ecotoxi- flask covered with green paper; doughnut-shaped yellow filter paper disk held horizont. on cology) top of flask; PER= postalightment behavior; during assay postions of artif. flowers rotated every 10 min Results
title comp. signif. stimulated foraging
Omura, Hisashi; Honda, Keiichi; Hayashi, Nanao; Journal of Chemical Ecology; vol. 25; nb. 8; (1999); p. 1895 1906, View in Reaxys
Reaxys ID 8540612 View in Reaxys
55/77 Chemical Name: 2-Phenylethanol; 2-Phenylethyl isothiocyanate; Phenylacetonitrile; Methyl salicylate; mixture of Type of Substance: mixture (composition partially given) Composition: Comp. Name: phenylacetonitrile; 2-hydroxybenzoic acid methyl ester; 2-phenyl-ethanol; [14C]-Phenethyl isothiocyanate Note:
No Structure
Ecotoxicology (1) 1 of 1
Effect (Ecotoxicology)
pheromone activity
Species or Test-System (Ecotoxicology)
Ceutorhynchus assimilis (Paykull), cabbage seed weevil
Method (Ecotoxicology)
field experiments conducted on Rothamsted Farm, Harpenden; release rates (mg/day): 5 (2-phenylethyl isothiocyanate), 6 (2-phenylethanol), 7 (phenylacetonitrile), 35 (methyl salicylate); yellow water bowl traps
Further Details (Ecotoxi- compound found in oilseed rape odor (Brassica napus); exp. B: June 1-27, 1994 (6 replicology) cates) Results
mean C. assimilis caught per replicate: 15.9 (unbaited control: 20.0)
Smart, Lesley E.; Blight, Margaret M.; Journal of Chemical Ecology; vol. 23; nb. 11; (1997); p. 2555 - 2567, View in Reaxys
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Reaxys ID 8735527 View in Reaxys
56/77 Linear Structure Formula: C10H2N4*2C8H5 (2)H2N Molecular Formula: 2C8H7N*C10H2N4 Molecular Weight: 416.421 Type of Substance: isocyclic InChI Key: KJINSCCNMDBXAC-SCBKJIDOSA-N Note:
N N
N
N
N
2H
2
2H
Substance Label (1) Label References TCNB*BzCN-d2
Ito, Yoshikatsu; Nakabayashi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p. 7139 - 7152, View in Reaxys
IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
KBr
Ito, Yoshikatsu; Nakabayashi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p. 7139 - 7152, View in Reaxys
Reaxys ID 9189900 View in Reaxys
57/77
1
Linear Structure Formula: C8H7N Molecular Formula: C8H7N Molecular Weight: 117.15 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-UHFFFAOYSA-N Note:
N
UV/VIS Spectroscopy (1) 1 of 1
Solvent (UV/VIS Spectroscopy)
benzene
Absorption Maxima (UV/ 470 VIS) [nm] Font-Sanchis, Enrique; Aliaga, Carolina; Focsaneanu; Scaiano; Chemical Communications; nb. 15; (2002); p. 1576 - 1577, View in Reaxys
Reaxys ID 9548577 View in Reaxys
58/77 Chemical Name: Lepidium meyenii essential oil Type of Substance: mixture (composition partially given) Composition: Comp. Name: phenylacetaldehyde; phenylacetonitrile; benzaldehyde; phenylmethanethiol; (thiocyanatomethyl)benzene; (3-Methoxy-phenyl)-acetonitrile Note:
No Structure
Ecotoxicology (6) 1 of 6
Effect (Ecotoxicology)
phytotoxicity
Species or Test-System (Ecotoxicology)
Lactuca sativa, lettuce
Kind of Dosing (Ecotoxi- title comp. dissolved in pentane; pentane allowed to evaporate on filter paper prior to adding cology) water to seeds Method (Ecotoxicology)
seeds exposed to title comp. in 24-well plates
Further Details (Ecotoxi- pentane used as control; cv. Iceberg of test plant cology)
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Comment (Ecotoxicology)
No effect
Tellez, Mario R; Khan, Ikhlas A; Kobaisy, Mozaina; Schrader, Kevin K; Dayan, Franck E; Osbrink, Weste; Phytochemistry; vol. 61; nb. 2; (2002); p. 149 - 155, View in Reaxys 2 of 6
Effect (Ecotoxicology)
phytotoxicity
Species or Test-System (Ecotoxicology)
Agrostis stolonifera, bentgrass
Kind of Dosing (Ecotoxi- title comp. dissolved in pentane; pentane allowed to evaporate on filter paper prior to adding cology) water to seeds Method (Ecotoxicology)
seeds exposed to title comp. in 24-well plates
Further Details (Ecotoxi- pentane used as control; cv. pencross of test plant cology) Comment (Ecotoxicology)
No effect
Tellez, Mario R; Khan, Ikhlas A; Kobaisy, Mozaina; Schrader, Kevin K; Dayan, Franck E; Osbrink, Weste; Phytochemistry; vol. 61; nb. 2; (2002); p. 149 - 155, View in Reaxys 3 of 6
Effect (Ecotoxicology)
insecticidal
Species or Test-System (Ecotoxicology)
Coptotermes formosanus, Formosan subterranean termite
Kind of Dosing (Ecotoxi- title comp. dissolved in acetone; 100 μl of solution (0.01-1.0 percent(w/w)) applied on filter cology) paper; acetone allowed to evaporate for several hours Method (Ecotoxicology)
filter paper disks placed in Petri dishes; 20 workers (3rd instar or greater) and 1 soldier added; Petri dishes maintained at 100 percent relat. humid, and 27 deg C; daily mortality eval. for 19 d
Further Details (Ecotoxi- paper disks receiving water alone served as control cology) Results
feeding deterrent at 1 percent conc.; mortality numerically but not signif. higher compared with untreated filter paper
Tellez, Mario R; Khan, Ikhlas A; Kobaisy, Mozaina; Schrader, Kevin K; Dayan, Franck E; Osbrink, Weste; Phytochemistry; vol. 61; nb. 2; (2002); p. 149 - 155, View in Reaxys 4 of 6
Effect (Ecotoxicology)
toxicity to bacteria
Species or Test-System (Ecotoxicology)
Oscillatoria perornata
Concentration (Ecotoxicology)
10 - 1000 mg/l
Kind of Dosing (Ecotoxi- title comp. dissolved in pentane cology) Method (Ecotoxicology)
bacterial growth assay by absorbance measurement
Type (Ecotoxicology)
LO(A)EC
Value of Type (Ecotoxicology)
100 mg/l
Tellez, Mario R; Khan, Ikhlas A; Kobaisy, Mozaina; Schrader, Kevin K; Dayan, Franck E; Osbrink, Weste; Phytochemistry; vol. 61; nb. 2; (2002); p. 149 - 155, View in Reaxys 5 of 6
Effect (Ecotoxicology)
toxicity to bacteria
Species or Test-System (Ecotoxicology)
Oscillatoria perornata
Concentration (Ecotoxicology)
10 - 1000 mg/l
Kind of Dosing (Ecotoxi- title comp. dissolved in pentane cology) Method (Ecotoxicology)
bacterial growth assay by absorbance measurement
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Further Details (Ecotoxi- LCIC: lowest complete inhibition concentration cology) Type (Ecotoxicology)
LCIC
Value of Type (Ecotoxicology)
100 mg/l
Tellez, Mario R; Khan, Ikhlas A; Kobaisy, Mozaina; Schrader, Kevin K; Dayan, Franck E; Osbrink, Weste; Phytochemistry; vol. 61; nb. 2; (2002); p. 149 - 155, View in Reaxys 6 of 6
Effect (Ecotoxicology)
toxicity to bacteria
Species or Test-System (Ecotoxicology)
Selenastrum capricornutum
Concentration (Ecotoxicology)
10 - 1000 mg/l
Kind of Dosing (Ecotoxi- title comp. dissolved in pentane cology) Method (Ecotoxicology)
bacterial growth assay by absorbance measurement
Comment (Ecotoxicology)
No effect
Tellez, Mario R; Khan, Ikhlas A; Kobaisy, Mozaina; Schrader, Kevin K; Dayan, Franck E; Osbrink, Weste; Phytochemistry; vol. 61; nb. 2; (2002); p. 149 - 155, View in Reaxys
Reaxys ID 10150706 View in Reaxys
59/77 Chemical Name: Pseudocytisus integrifolius (Salisb.) Rehder subsp. glabrescens (Coss.) Lit. Et Maire, quecdir, el-kasdir, in the south of Tlemcen, western Algeria, aerial parts, March 2003; extract; steam distillation Type of Substance: mixture (composition partially given) Composition: Comp. Name: phenylacetonitrile; dimethyl tetrasulphide; 6,10,14-trimethyl-pentadecan-2-one; dimethyl-disulfide; dimethyl trisulphide; 1-cyano-3-butene Composition: Comp. Conc.: 0.5 vol percent; 0.7 vol percent; 0.6 vol percent; 33.4 vol percent; 24.2 vol percent; 31.7 vol percent Note:
No Structure
Substance Label (1) Label References EO
Bendimerad, Nassima; Taleb Bendiab, Sid Ahmed; Benabadji, Ahmed Bakir; Fernandez, Xavier; Valette, Laurent; Lizzani-Cuvelier, Louisette; Journal of Agricultural and Food Chemistry; vol. 53; nb. 8; (2005); p. 2947 - 2952, View in Reaxys
Pharmacological Data (4) 1 of 4
Comment (Pharmacological Data)
Bioactivities present
Bendimerad, Nassima; Taleb Bendiab, Sid Ahmed; Benabadji, Ahmed Bakir; Fernandez, Xavier; Valette, Laurent; Lizzani-Cuvelier, Louisette; Journal of Agricultural and Food Chemistry; vol. 53; nb. 8; (2005); p. 2947 - 2952, View in Reaxys 2 of 4
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Escherichia coli ATCC 25922
Concentration (Pharmacological Data)
12.5 - 100 percent v/v
Kind of Dosing (Pharma- each paper disk impregnated with 20 μl essential oil (100 percent v/v) or different dilutions cological Data) (50, 25, or 12.5 percent v/v) Method (Pharmacological Data)
paper-disk diffusion method; 6 mm paper disk placed on bacteria seeded Mueller-Hinton plates; 37 deg C; inhibitory zones around disks measured
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Further Details (Pharma- 10 μg/disk ampicillin, 15 μg/disk staphylomycin, and 100 μg/disk piperacillin used as refercological Data) ence comp. Results
at 12.5/25/50/100 percent v/v title substances produced inhibition zone of 8/18/24/26 mm (vs. 17, 13, and 13 mm for ampicillin, staphylomycin, and piperacillin, respectively)
Bendimerad, Nassima; Taleb Bendiab, Sid Ahmed; Benabadji, Ahmed Bakir; Fernandez, Xavier; Valette, Laurent; Lizzani-Cuvelier, Louisette; Journal of Agricultural and Food Chemistry; vol. 53; nb. 8; (2005); p. 2947 - 2952, View in Reaxys 3 of 4
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Pseudomonas aeruginosa ATCC 27853
Concentration (Pharmacological Data)
12.5 - 100 percent v/v
Kind of Dosing (Pharma- each paper disk impregnated with 20 μl essential oil (100 percent v/v) or different dilutions cological Data) (50, 25, or 12.5 percent v/v) Method (Pharmacological Data)
paper-disk diffusion method; 6 mm paper disk placed on bacteria seeded Mueller-Hinton plates; 37 deg C; inhibitory zones around disks measured
Further Details (Pharma- 10 μg/disk ampicillin, 15 μg/disk staphylomycin, and 100 μg/disk piperacillin used as refercological Data) ence comp. Results
at 12.5/25/50/100 percent v/v title substances produced inhibition zone of <=6/8/18/22 mm (vs. <=6, 13, and 20 mm for ampicillin, staphylomycin, and piperacillin, respectively)
Bendimerad, Nassima; Taleb Bendiab, Sid Ahmed; Benabadji, Ahmed Bakir; Fernandez, Xavier; Valette, Laurent; Lizzani-Cuvelier, Louisette; Journal of Agricultural and Food Chemistry; vol. 53; nb. 8; (2005); p. 2947 - 2952, View in Reaxys 4 of 4
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Staphylococcus aureus ATCC 25923
Concentration (Pharmacological Data)
12.5 - 100 percent v/v
Kind of Dosing (Pharma- each paper disk impregnated with 20 μl essential oil (100 percent v/v) or different dilutions cological Data) (50, 25, or 12.5 percent v/v) Method (Pharmacological Data)
paper-disk diffusion method; 6 mm paper disk placed on bacteria seeded Mueller-Hinton plates; 37 deg C; inhibitory zones around disks measured
Further Details (Pharma- 10 μg/disk ampicillin, 15 μg/disk staphylomycin, and 100 μg/disk piperacillin used as refercological Data) ence comp. Comment (Pharmacological Data)
No effect
Bendimerad, Nassima; Taleb Bendiab, Sid Ahmed; Benabadji, Ahmed Bakir; Fernandez, Xavier; Valette, Laurent; Lizzani-Cuvelier, Louisette; Journal of Agricultural and Food Chemistry; vol. 53; nb. 8; (2005); p. 2947 - 2952, View in Reaxys
Reaxys ID 12706115 View in Reaxys
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
60/77
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Chemical Name: Trimethylammonium phenyl acetonitrile p-dodecyl benzene sulphonate Linear Structure Formula: C3H9N*C8H7N*C18H30O3S Molecular Formula: C3H9N*C8H7N*C18H30O3S Molecular Weight: 502.762 InChI Key: SWNDKNSGMIPRQP-UHFFFAOYSA-N Note:
O HO
S O N
N
NMR Spectroscopy (1) 1 of 1
Solvents (NMR Spectro- CDCl3 trioxan scopy) Original Text (NMR Spectroscopy)
NMR assay (CDCl3, trioxan) 99percent (σ, CDCl3) 0.7-1.7 (complex unresolved, 24H, C12 H25), STR13 3.55 (s, 9H, (CH3)3 N+), 6.85 (s, IH, N--CH), 7.15 (d, 2H, ArH, 7.5 (d, 2H, ArH) 7.6 (d, IH, ArH), 7.8 (2d, 4H, ArH) ppm
Comment (NMR Spectroscopy)
Signals given
Signals [ppm]
99; 0.7 - 1.7
Kind of signal
σ, CDCl&3%; complex unresolved, 24H, C&12% H&25%
Patent; Lever Brothers Company, Division of Conopco, Inc.; US5281361; (1994); (A1) English, View in Reaxys
Reaxys ID 16074433 View in Reaxys
61/77 CAS Registry Number: 157410-42-9 Linear Structure Formula: C6H5CH2CN*SbCl5 Molecular Formula: C8H7N*Cl5Sb Molecular Weight: 416.165 Type of Substance: Coordination compound InChI Key: CHGJBAJMJCBNOD-UHFFFAOYSA-I Note:
Cl N Cl
Cl Sb Cl Cl
NQR Spectroscopy (2) Description (NQR Nucleus (NQR Spectroscopy) Spectroscopy)
References
35Cl
Semin, G. K.; Kuznetsov, S. I.; Raevsky, A. M.; Bryukhova, E. V.; Zeitschrift fuer Naturforschung, A: Physical Sciences; vol. 49; (1994); p. 630 - 634 ; (from Gmelin), View in Reaxys
Nuclear quadru121Sb pole coupling constants
Semin, G. K.; Kuznetsov, S. I.; Raevsky, A. M.; Bryukhova, E. V.; Zeitschrift fuer Naturforschung, A: Physical Sciences; vol. 49; (1994); p. 630 - 634 ; (from Gmelin), View in Reaxys
Reaxys ID 16382311 View in Reaxys
62/77 CAS Registry Number: 70100-50-4 Linear Structure Formula: TaCl5*C6H5CH2CN Molecular Formula: C8H7N*Cl5Ta Molecular Weight: 475.363 Type of Substance: Coordination compound InChI Key: YYYALFIEVLXQGZ-UHFFFAOYSA-I Note:
Cl
N
(v5)
Cl
Ta
Cl Cl
Cl
NQR Spectroscopy (3) Description (NQR Nucleus (NQR Spectroscopy) Spectroscopy)
References
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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35Cl
Kuz'min, A. I.; Kuznetsov, S. I.; Chishikova, S. M.; Denisova, G. M.; Zviadadze, G. N.; Dzevitskii, B. E.; Russian Journal of Physical Chemistry (Translation of Zhurnal Fizicheskoi Khimii); vol. 53; (1979); p. 80 - 82; Zhurnal Fizicheskoi Khimii; vol. 53; (1979); p. 155 - 159 ; (from Gmelin), View in Reaxys
37Cl
Kuz'min, A. I.; Kuznetsov, S. I.; Chishikova, S. M.; Denisova, G. M.; Zviadadze, G. N.; Dzevitskii, B. E.; Russian Journal of Physical Chemistry (Translation of Zhurnal Fizicheskoi Khimii); vol. 53; (1979); p. 80 - 82; Zhurnal Fizicheskoi Khimii; vol. 53; (1979); p. 155 - 159 ; (from Gmelin), View in Reaxys
Nuclear quadru181Ta pole coupling constants
Kuz'min, A. I.; Kuznetsov, S. I.; Chishikova, S. M.; Denisova, G. M.; Zviadadze, G. N.; Dzevitskii, B. E.; Russian Journal of Physical Chemistry (Translation of Zhurnal Fizicheskoi Khimii); vol. 53; (1979); p. 80 - 82; Zhurnal Fizicheskoi Khimii; vol. 53; (1979); p. 155 - 159 ; (from Gmelin), View in Reaxys
Reaxys ID 16793200 View in Reaxys
63/77 Linear Structure Formula: Ag(1+)*NO3 (1-)=AgNO3#C6H5CH2CN#H2O Type of Substance: mixture (composition partially given) Composition: Comp. Name: silver nitrate; phenylacetonitrile; water Note:
No Structure
Density (1) 1 of 1
Density [g·cm-3]
1.332 - 1.773
Measurement Tempera- 30 ture [°C] Comment (Density)
depending on mole ratios; Liquid
Das, Surjya P.; Wittekopf, Burghard; Weil, Konrad G.; Zeitschrift fuer Naturforschung, Teil A: Physik, Physikalische Chemie, Kosmophysik; vol. 43; (1988); p. 977 - 982 ; (from Gmelin), View in Reaxys Dynamic Viscosity (1) Dynamic Viscosity Temperature (Dy- Comment (Dy[P] namic Viscosity) namic Viscosity) [°C] 0.1058 - 0.9893
30
References
depending on Das, Surjya P.; Wittekopf, Burghard; Weil, Konrad G.; Zeitschrift mole ratios; Liquid fuer Naturforschung, Teil A: Physik, Physikalische Chemie, Kosmophysik; vol. 43; (1988); p. 977 - 982 ; (from Gmelin), View in Reaxys
Liquid/Solid Systems (MCS) (1) 1 of 1
Description (Liquid/Solid Melting diagram Systems (MCS)) Das, Surjya P.; Wittekopf, Burghard; Weil, Konrad G.; Zeitschrift fuer Naturforschung, Teil A: Physik, Physikalische Chemie, Kosmophysik; vol. 43; (1988); p. 977 - 982 ; (from Gmelin), View in Reaxys
Reaxys ID 17046022 View in Reaxys
64/77 Linear Structure Formula: 2C6H5CHCN(1-)*Ni(2+)*HCON(CH3)2=(NCCHC6H5)2NiHCON(CH3)2 Molecular Formula: C3H7NO*2C8H6N*Ni Molecular Weight: 364.069 Type of Substance: Coordination compound InChI Key: ICCBHWOCRFMCDT-UHFFFAOYSA-N Note:
(v3)
2
C–
N
Ni 2+
(v4)
O
N
Solubility (MCS) (1) 1 of 1
Comment (Solubility (MCS))
insol. in organic solvents
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Bukhtiarov, A. V.; Kudryavtsev, Yu. G.; Lebedev, A. V.; Golyshin, V. N.; Mikheev, V. V.; Rodnikov, I. A.; Journal of General Chemistry USSR (English Translation); vol. 60; (1990); p. 1189 - 1192; Zhurnal Obshchei Khimii; vol. 60; (1990); p. 1329 - 1332 ; (from Gmelin), View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
mineral oil
Comment (IR Spectroscopy)
1660 cm**-1 - 2140 cm**-1
Bukhtiarov, A. V.; Kudryavtsev, Yu. G.; Lebedev, A. V.; Golyshin, V. N.; Mikheev, V. V.; Rodnikov, I. A.; Journal of General Chemistry USSR (English Translation); vol. 60; (1990); p. 1189 - 1192; Zhurnal Obshchei Khimii; vol. 60; (1990); p. 1329 - 1332 ; (from Gmelin), View in Reaxys Use (1) Laboratory Use and Handling
References
readily hydrolyzed Bukhtiarov, A. V.; Kudryavtsev, Yu. G.; Lebedev, A. V.; Golyshin, V. N.; Mikheev, V. V.; Rodnikov, I. A.; by atmospheric Journal of General Chemistry USSR (English Translation); vol. 60; (1990); p. 1189 - 1192; Zhurnal Obshchei moisture Khimii; vol. 60; (1990); p. 1329 - 1332 ; (from Gmelin), View in Reaxys
Reaxys ID 17767954 View in Reaxys
65/77 CAS Registry Number: 176716-19-1 Linear Structure Formula: Nb(OH)Cl4*C6H5CH2CN Molecular Formula: C8H7N*Cl4HNbO Molecular Weight: 368.876 InChI Key: PQCIXIGHKHUFHB-UHFFFAOYSA-I Note:
(v2)
OH –
(v1)
–Cl
(v5)
–
(v1)
Cl Nb 5+ Cl – (v1)
N
Cl – (v1)
NMR Spectroscopy (1) 1 of 1
Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CD3CN scopy) Comment (NMR Spectroscopy)
Signals given
Lee, G. Robert; Crayston, Joe A.; Polyhedron; vol. 15; nb. 11; (1996); p. 1817 - 1821 ; (from Gmelin), View in Reaxys
Reaxys ID 17802639 View in Reaxys
66/77
O
O–
O–
O
Chemical Name: α-β''-(bis(ethylenedithio)tetrathiafulvalene)4(ammonia)(tris(oxalato)gallate(III))*C6H5CH2CN Linear Structure Formula: Ga(3+)*NH4 (1+)*2(CS C S C H )2(1+)*2(CS C S C H )2*3C O 2 2 2 2 4 2 2 2 2 4 2 4 (2-)*C H CH CN=((CS C S C H )2)4(NH ) 6 5 2 2 2 2 2 4 4 (Ga(C2O4)3)*C6H5CH2CN Molecular Formula: 3C2O4*C8H7N*2C10H8S8*2C10H8S8*Ga*H4N Molecular Weight: 2007.78 Type of Substance: Coordination compound InChI Key: BFWYMAHNNABQKP-UHFFFAOYSA-M Note:
3
N
2
2
S S
S S C C+ S S
S
S
S
S
S
S
S
S
S Ga 3+ S
H
N+ H
H
H
Conformation (1)
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Object of Investigation
References
Conformation
Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys
Crystal Phase (3) Description (Crys- References tal Phase) plates
Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys
Structure of the solid
Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys
Single Crystal Xray Diffraction
Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys
Crystal Property Description (1) Colour & Other References Properties dark brown
Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys
Crystal System (1) Crystal System References Triclinic
Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys
Electrical Data (3) 1 of 3
Description (Electrical Data)
Electrical conduction mechanism
Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys 2 of 3
Description (Electrical Data)
Electrical conductivity
Electric Conductivity [S/ cm]
0.24 - 1.34
Temperature of Electric Conductivity [°C]
26.84
Comment (Electrical Da- along (210) ta) Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys 3 of 3
Description (Electrical Data)
Electrical conductivity
Electric Conductivity [S/ cm]
0.24
Temperature of Electric Conductivity [°C]
26.84
Comment (Electrical Da- along (11(-)1) ta) Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys Space Group (1)
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Space Group
Comment (Space Group)
References
2
a = 9.824 AngAkutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; stroem, b = 11.196 Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Angstroem, c = Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys 37.88 Angstroem, α = 81.469, β = 87.657, γ = 64.362; Z = 2; T = 298 K; atomic positions available
Raman Spectroscopy (1) Description (Ram- References an Spectroscopy) Raman
Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys
Quantum Chemical Calculations (1) Calculated Prop- Method (Quantum References erties Chemical Calculations) Band structure; Electron distribution
Empirical methods
Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys
Reaxys ID 17918562 View in Reaxys
67/77
Au+
1.5
Chemical Name: ([AuAg(1-methyl-3-(2-pyridinyl)imidazol-2-ylidene)2(NCCH2Ph)](BF4)2)(n)*PhCH2CN Linear Structure Formula: Au(1+)*Ag(1+)*2CH3C3H2N2C5H4N*1.5NCCH2C6H5*2BF4 (1-)=[AgAu(CH C H N C H N)2(NCCH C H )] 3 3 2 2 5 4 2 6 5 (BF4)2*0.5C6H5CH2CN Molecular Formula: Ag*Au*2BF4*C8H7N*2C9H9N3 Molecular Weight: 972.55 Type of Substance: Coordination compound InChI Key: JDTUZUPWYDMEHF-UHFFFAOYSA-N Note:
N Ag+ (v1) F–
2
2
(v4)
–F
(v1)
(v1)
N N
B3+– – FF
(v1)
N (v2)
Conformation (1) Object of Investi- References gation Conformation
Catalano, Vincent J.; Etogo, Anthony O.; Journal of Organometallic Chemistry; vol. 690; nb. 24-25; (2005); p. 6041 - 6050 ; (from Gmelin), View in Reaxys
Crystal Phase (1) Description (Crys- References tal Phase) Single Crystal Xray Diffraction
Catalano, Vincent J.; Etogo, Anthony O.; Journal of Organometallic Chemistry; vol. 690; nb. 24-25; (2005); p. 6041 - 6050 ; (from Gmelin), View in Reaxys
Crystal System (1) Crystal System References Monoclinic
Catalano, Vincent J.; Etogo, Anthony O.; Journal of Organometallic Chemistry; vol. 690; nb. 24-25; (2005); p. 6041 - 6050 ; (from Gmelin), View in Reaxys
Interatomic Distances and Angles (1) Description Comment (Intera- References tomic Distances and Angles)
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Interatomic disSingle Crystal Xtances and angles ray Diffraction
Catalano, Vincent J.; Etogo, Anthony O.; Journal of Organometallic Chemistry; vol. 690; nb. 24-25; (2005); p. 6041 - 6050 ; (from Gmelin), View in Reaxys
Space Group (1) Space Group
References
Comment (Space Group)
14
a = 12.7675 Ang- Catalano, Vincent J.; Etogo, Anthony O.; Journal of Organometallic Chemistry; vol. 690; stroem, b = nb. 24-25; (2005); p. 6041 - 6050 ; (from Gmelin), View in Reaxys 11.0228 Angstroem, c = 25.2070 Angstroem, β = 104.047; Z = 4; T = 100 K
Luminescence Spectroscopy (1) Description (Lumi- References nescence Spectroscopy) Luminescence
Catalano, Vincent J.; Etogo, Anthony O.; Journal of Organometallic Chemistry; vol. 690; nb. 24-25; (2005); p. 6041 - 6050 ; (from Gmelin), View in Reaxys
Use (1) Laboratory Use and Handling
References
air stable
Catalano, Vincent J.; Etogo, Anthony O.; Journal of Organometallic Chemistry; vol. 690; nb. 24-25; (2005); p. 6041 - 6050 ; (from Gmelin), View in Reaxys
Reaxys ID 17957099 View in Reaxys
N
N
N (v4)
N
N
(v1)
(v4) N (v4) N –(v4) Fe 2+ Cl OC-6 (v6)N
N
(v4)
68/77
N
N N
N
N N
F 2 F
(v4) N
N
N
N – (v1) Cl (v4) Fe 2+ (v4) N OC-6 (v6) N (v4)
F
O
S
–O
O
2
N
N
N
(v4)
N
Chemical Name: [Fe2 bis(2,4,6-tris(dipyridin-2-ylamino)-1,3,5triazine)Cl2](CF3SO3)2 (benzyl cyanide)2 Linear Structure Formula: Fe2((C10H8N3)3C3N3)2Cl2 (2+)*2CF SO 3 3 (1-)*2C H N=Fe ((C H N )3C N )2Cl (CF SO )2*2C H N 8 7 2 10 8 3 3 3 2 3 3 8 7 Molecular Formula: 2CF3O3S*2C8H7N*C66H48Cl2Fe2N24 Molecular Weight: 1892.31 Type of Substance: Coordination compound InChI Key: NPUFFIKUZNASPU-UHFFFAOYSA-K Note:
Density (1) 1 of 1
Density [g·cm-3]
1.507
Measurement Tempera- 19.84 ture [°C] Type (Density)
crystallographic
Quesada, Manuel; De Hoog, Paul; Gamez, Patrick; Roubeau, Olivier; Aromi, Guillem; Donnadieu, Bruno; Massera, Chiara; Lutz, Martin; Spek, Anthony L.; Reedijk, Jan; European Journal of Inorganic Chemistry; nb. 7; (2006); p. 1353 - 1361 ; (from Gmelin), View in Reaxys Conformation (1) Object of Investi- References gation Conformation
Quesada, Manuel; De Hoog, Paul; Gamez, Patrick; Roubeau, Olivier; Aromi, Guillem; Donnadieu, Bruno; Massera, Chiara; Lutz, Martin; Spek, Anthony L.; Reedijk, Jan; European Journal of Inorganic Chemistry; nb. 7; (2006); p. 1353 - 1361 ; (from Gmelin), View in Reaxys
Crystal Phase (1) Description (Crys- References tal Phase) Single Crystal Xray Diffraction
Quesada, Manuel; De Hoog, Paul; Gamez, Patrick; Roubeau, Olivier; Aromi, Guillem; Donnadieu, Bruno; Massera, Chiara; Lutz, Martin; Spek, Anthony L.; Reedijk, Jan; European Journal of Inorganic Chemistry; nb. 7; (2006); p. 1353 - 1361 ; (from Gmelin), View in Reaxys
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Crystal Property Description (1) Colour & Other References Properties yellow
Quesada, Manuel; De Hoog, Paul; Gamez, Patrick; Roubeau, Olivier; Aromi, Guillem; Donnadieu, Bruno; Massera, Chiara; Lutz, Martin; Spek, Anthony L.; Reedijk, Jan; European Journal of Inorganic Chemistry; nb. 7; (2006); p. 1353 - 1361 ; (from Gmelin), View in Reaxys
Crystal System (1) Crystal System References Triclinic
Quesada, Manuel; De Hoog, Paul; Gamez, Patrick; Roubeau, Olivier; Aromi, Guillem; Donnadieu, Bruno; Massera, Chiara; Lutz, Martin; Spek, Anthony L.; Reedijk, Jan; European Journal of Inorganic Chemistry; nb. 7; (2006); p. 1353 - 1361 ; (from Gmelin), View in Reaxys
Interatomic Distances and Angles (1) Description Comment (Intera- References tomic Distances and Angles) Interatomic disSingle Crystal Xtances and angles ray Diffraction
Quesada, Manuel; De Hoog, Paul; Gamez, Patrick; Roubeau, Olivier; Aromi, Guillem; Donnadieu, Bruno; Massera, Chiara; Lutz, Martin; Spek, Anthony L.; Reedijk, Jan; European Journal of Inorganic Chemistry; nb. 7; (2006); p. 1353 - 1361 ; (from Gmelin), View in Reaxys
Magnetic Susceptibility (1) Comment (MagReferences netic Susceptibility) susceptibility dia- Quesada, Manuel; De Hoog, Paul; Gamez, Patrick; Roubeau, Olivier; Aromi, Guillem; Donnadieu, Bruno; gram; susceptibili- Massera, Chiara; Lutz, Martin; Spek, Anthony L.; Reedijk, Jan; European Journal of Inorganic Chemistry; ty equation nb. 7; (2006); p. 1353 - 1361 ; (from Gmelin), View in Reaxys Space Group (1) Space Group 2
Comment (Space Group)
References
a = 13.250 Angstroem, b = 13.621 Angstroem, c = 13.682 Angstroem, α = 64.419, β = 70.521, γ = 75.965; Z = 1; T = 293 K
Quesada, Manuel; De Hoog, Paul; Gamez, Patrick; Roubeau, Olivier; Aromi, Guillem; Donnadieu, Bruno; Massera, Chiara; Lutz, Martin; Spek, Anthony L.; Reedijk, Jan; European Journal of Inorganic Chemistry; nb. 7; (2006); p. 1353 - 1361 ; (from Gmelin), View in Reaxys
IR Spectroscopy (2) 1 of 2
Description (IR Spectroscopy)
Spectrum
Solvent (IR Spectroscopy)
neat (no solvent)
Comment (IR Spectroscopy)
300 cm**-1 - 4000 cm**-1
Quesada, Manuel; De Hoog, Paul; Gamez, Patrick; Roubeau, Olivier; Aromi, Guillem; Donnadieu, Bruno; Massera, Chiara; Lutz, Martin; Spek, Anthony L.; Reedijk, Jan; European Journal of Inorganic Chemistry; nb. 7; (2006); p. 1353 - 1361 ; (from Gmelin), View in Reaxys 2 of 2
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent)
Comment (IR Spectroscopy)
300 cm**-1 - 4000 cm**-1
Quesada, Manuel; De Hoog, Paul; Gamez, Patrick; Roubeau, Olivier; Aromi, Guillem; Donnadieu, Bruno; Massera, Chiara; Lutz, Martin; Spek, Anthony L.; Reedijk, Jan; European Journal of Inorganic Chemistry; nb. 7; (2006); p. 1353 - 1361 ; (from Gmelin), View in Reaxys
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Reaxys ID 18140453 View in Reaxys 3
(v3)
O
69/77 Linear Structure Formula: Fe2 (2+)*2C5H5 (1-)*3CO*CNCH C H =[Fe (C H )2(CO)3(CNCH C H )] 2 6 5 2 5 5 2 6 5 Molecular Formula: 3CO*2C5H5*C8H7N*Fe2 Molecular Weight: 443.065 Type of Substance: Coordination compound InChI Key: SZPKRTZJNVBUSE-UHFFFAOYSA-N Note:
(v3)
2
CH –
N
(v1)
+Fe
Fe +
(v1)
Crystal Property Description (1) Colour & Other References Properties purple
Willis, Sheila; Manning, A. R.; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); (1981); p. 322 - 324 ; (from Gmelin), View in Reaxys
Reaxys ID 18261801 View in Reaxys
70/77
N
Linear Structure Formula: 2Cu(1+)*(CH3)3CC6H2(N(CH2C5H4N)2)2OH*2C6H5CH2CN*2[PF (1-)=[Cu ((CH )3CC H (N(CH C H N)2)2OH)(C H CH CN)2] 6] 2 3 6 2 2 5 4 6 5 2 [PF6]2 Molecular Formula: 2C8H7N*C34H36N6O*2Cu*2F6P Molecular Weight: 1196.02 Type of Substance: Coordination compound InChI Key: URSKKRBKINDBRA-UHFFFAOYSA-N Note:
2
2 Cu + (v1) F– (v1) 2 –F –F (v1)
– (v1)
F – P5+ F (v1) (v6) F– (v1)
N
N N
OH
N
N
N
Reaxys ID 18849175 View in Reaxys
71/77
N
Linear Structure Formula: C8H7N*ClH Molecular Formula: C8H7N*ClH Molecular Weight: 153.611 InChI Key: OXXDPHIQPAQINB-UHFFFAOYSA-N Note:
HCl
Reaxys ID 19951692 View in Reaxys
72/77 Chemical Name: essential oil of Crambe orientalis L., flowering tops, Ardabil, north west of Iran, May 2008 Type of Substance: mixture (composition partially given) Composition: Comp. Name: 2-methyl-5-hexenenitrile; n-capronitrile; n-butyl isothiocyanate; 5-methylhexanenitrile; n-heptanonitrile; caprylonitrile; 3-butenyl-ITC; pelargonaldehyde; phenylacetonitrile; octanoic acid Note:
No Structure
Pharmacological Data (4) 1 of 4
Comment (Pharmacological Data)
Bioactivities present
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Razavi, Seyed Mehdi; Nejad-Ebrahimi, Samad; Natural Product Research; vol. 23; nb. 16; (2009); p. 1492 - 1498, View in Reaxys 2 of 4
Effect (Pharmacological Data)
phytotoxic
Species or Test-System (Pharmacological Data)
seed of Lactuca sativa L. CV. Varamin, lettuce
Concentration (Pharmacological Data)
0.01 - 1.6 g/l
Kind of Dosing (Pharma- title comp. dispersed as emulsion in water using Tween 20 cological Data) Further Details (Pharma- seed germination rate in control: 85percent; shoot length in control: 14.91 mm; radicle length cological Data) in control: 21.95 mm Type (Pharmacological Data)
seed germination rate
Value of Type (Pharmacological Data)
80 - 88 percent
Razavi, Seyed Mehdi; Nejad-Ebrahimi, Samad; Natural Product Research; vol. 23; nb. 16; (2009); p. 1492 - 1498, View in Reaxys 3 of 4
Effect (Pharmacological Data)
phytotoxic
Species or Test-System (Pharmacological Data)
seed of Lactuca sativa L. CV. Varamin, lettuce
Concentration (Pharmacological Data)
0.01 - 1.6 g/l
Kind of Dosing (Pharma- title comp. dispersed as emulsion in water using Tween 20 cological Data) Further Details (Pharma- seed germination rate in control: 85percent; shoot length in control: 14.91 mm; radicle length cological Data) in control: 21.95 mm Type (Pharmacological Data)
shoot length
Value of Type (Pharmacological Data)
6.85 - 17.05 mm
Razavi, Seyed Mehdi; Nejad-Ebrahimi, Samad; Natural Product Research; vol. 23; nb. 16; (2009); p. 1492 - 1498, View in Reaxys 4 of 4
Effect (Pharmacological Data)
phytotoxic
Species or Test-System (Pharmacological Data)
seed of Lactuca sativa L. CV. Varamin, lettuce
Concentration (Pharmacological Data)
0.01 - 1.6 g/l
Kind of Dosing (Pharma- title comp. dispersed as emulsion in water using Tween 20 cological Data) Further Details (Pharma- seed germination rate in control: 85percent; shoot length in control: 14.91 mm; radicle length cological Data) in control: 21.95 mm Type (Pharmacological Data)
radicle length
Value of Type (Pharmacological Data)
16 - 30.22 mm
Razavi, Seyed Mehdi; Nejad-Ebrahimi, Samad; Natural Product Research; vol. 23; nb. 16; (2009); p. 1492 - 1498, View in Reaxys
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Reaxys ID 19951693 View in Reaxys
73/77 Chemical Name: essential oil of Crambe orientalis L., leaves, Ardabil, north west of Iran, May 2008 Type of Substance: mixture (composition partially given) Composition: Comp. Name: 2-methyl-5-hexenenitrile; n-butyl isothiocyanate; 5-methylhexanenitrile; 3-butenyl-ITC; Caprylic Aldehyde; eucalyptol (cineole); phenylacetaldehyde; 5-methylthiophene-2-carboxaldehyde; non-2-en-4-one; phenylacetonitrile Note:
No Structure
Pharmacological Data (6) 1 of 6
Comment (Pharmacological Data)
Bioactivities present
Razavi, Seyed Mehdi; Nejad-Ebrahimi, Samad; Natural Product Research; vol. 23; nb. 16; (2009); p. 1492 - 1498, View in Reaxys 2 of 6
Effect (Pharmacological Data)
cell viability; inhibition of
Species or Test-System (Pharmacological Data)
Mc-Coy cells
Concentration (Pharmacological Data)
1.25 - 5 g/l
Kind of Dosing (Pharma- title comp. dissolved in water using Tween 20 cological Data) Further Details (Pharma- inhibitory concentration (IC) cological Data) Type (Pharmacological Data)
IC50
Value of Type (Pharmacological Data)
16 μg/ml
Razavi, Seyed Mehdi; Nejad-Ebrahimi, Samad; Natural Product Research; vol. 23; nb. 16; (2009); p. 1492 - 1498, View in Reaxys 3 of 6
Effect (Pharmacological Data)
phytotoxic
Species or Test-System (Pharmacological Data)
seed of Lactuca sativa L. CV. Varamin, lettuce
Concentration (Pharmacological Data)
0.01 - 1.6 g/l
Kind of Dosing (Pharma- title comp. dispersed as emulsion in water using Tween 20 cological Data) Further Details (Pharma- seed germination rate in control: 77percent; shoot length in control: 16.88 mm; radicle length cological Data) in control: 23.55 mm Type (Pharmacological Data)
seed germination rate
Value of Type (Pharmacological Data)
72.8 - 80 percent
Razavi, Seyed Mehdi; Nejad-Ebrahimi, Samad; Natural Product Research; vol. 23; nb. 16; (2009); p. 1492 - 1498, View in Reaxys 4 of 6
Effect (Pharmacological Data)
phytotoxic
Species or Test-System (Pharmacological Data)
seed of Lactuca sativa L. CV. Varamin, lettuce
Concentration (Pharmacological Data)
0.01 - 1.6 g/l
Kind of Dosing (Pharma- title comp. dispersed as emulsion in water using Tween 20 cological Data)
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Further Details (Pharma- seed germination rate in control: 77percent; shoot length in control: 16.88 mm; radicle length cological Data) in control: 23.55 mm Type (Pharmacological Data)
shoot length
Value of Type (Pharmacological Data)
10.64 - 16.59 mm
Razavi, Seyed Mehdi; Nejad-Ebrahimi, Samad; Natural Product Research; vol. 23; nb. 16; (2009); p. 1492 - 1498, View in Reaxys 5 of 6
Effect (Pharmacological Data)
phytotoxic
Species or Test-System (Pharmacological Data)
seed of Lactuca sativa L. CV. Varamin, lettuce
Concentration (Pharmacological Data)
0.01 - 1.6 g/l
Kind of Dosing (Pharma- title comp. dispersed as emulsion in water using Tween 20 cological Data) Further Details (Pharma- seed germination rate in control: 77percent; shoot length in control: 16.88 mm; radicle length cological Data) in control: 23.55 mm Type (Pharmacological Data)
radicle length
Value of Type (Pharmacological Data)
19.32 - 28.25 mm
Razavi, Seyed Mehdi; Nejad-Ebrahimi, Samad; Natural Product Research; vol. 23; nb. 16; (2009); p. 1492 - 1498, View in Reaxys 6 of 6
Effect (Pharmacological Data)
cell viability; inhibition of
Species or Test-System (Pharmacological Data)
Mc-Coy cells
Concentration (Pharmacological Data)
5 g/l
Kind of Dosing (Pharma- title comp. dissolved in water using Tween 20 cological Data) Type (Pharmacological Data)
cell viability
Value of Type (Pharmacological Data)
21.3 percent
Razavi, Seyed Mehdi; Nejad-Ebrahimi, Samad; Natural Product Research; vol. 23; nb. 16; (2009); p. 1492 - 1498, View in Reaxys
Reaxys ID 22015942 View in Reaxys
74/77 Chemical Name: hydrodistillate of Aurinia sinuata, dried aerial parts, Split, Dalmatia, Croatia, spring Type of Substance: mixture (composition partially given) Composition: Comp. Name: 6,10,14-trimethyl-pentadecan-2one; 2-(4-hydroxy-3-methoxyphenyl)ethene; berteroin; 5-hexenenitrile; phenylacetonitrile; 6-(methylsulfanyl)hexanenitrile; 7(methylsulfanyl)heptanenitrile; thialdine; phytanyl alcohol; 4(2,6,6-trimethyl-1-cyclohexenyl-1-yl)-3-buten-2-one Note:
No Structure
Pharmacological Data (35) 1 of 35
Comment (Pharmacological Data)
Bioactivities present
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Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 2 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Staphylococcus aureus ATCC 25923
Concentration (Pharmacological Data)
0.1 - 0.5 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.089 mg/ml
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 3 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Bacillus cereus ATTC 11778
Concentration (Pharmacological Data)
0.1 - 0.5 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.098 mg/ml
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 4 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Clostridium perfrigens FNSST 4999
Concentration (Pharmacological Data)
0.1 - 0.5 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.107 mg/ml
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 5 of 35
Effect (Pharmacological Data)
antibacterial
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Species or Test-System (Pharmacological Data)
Enterococcus faecalis ATCC 29212
Concentration (Pharmacological Data)
0.1 - 0.5 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.066 mg/ml
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 6 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Micrococcus luteus ATCC 49732
Concentration (Pharmacological Data)
0.1 - 0.5 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.093 mg/ml
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 7 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Aeromonas hydrophila FNSST 050
Concentration (Pharmacological Data)
0.1 - 0.5 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.093 mg/ml
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 8 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Enterobacter sakazakii FNSST 021
Concentration (Pharmacological Data)
0.1 - 0.5 mg/disc
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Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.076 mg/ml
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 9 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Klebsiella pneumoniae FNSST 011
Concentration (Pharmacological Data)
0.1 - 0.5 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.093 mg/ml
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 10 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Escherichia coli FNSST 982
Concentration (Pharmacological Data)
0.1 - 0.5 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.08 mg/ml
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 11 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Enterobacter cloacae FNSST 111
Concentration (Pharmacological Data)
0.1 - 0.5 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data)
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Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.091 mg/ml
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 12 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Pseudomonas aeruginosa FNSST 014
Concentration (Pharmacological Data)
0.1 - 0.5 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.091 mg/ml
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 13 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Vibrio vulnificus FNSST 982
Concentration (Pharmacological Data)
0.1 - 0.5 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.089 mg/ml
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 14 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Pseudomonas luteola FNSST 983
Concentration (Pharmacological Data)
0.1 - 0.5 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.032 mg/ml
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Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Chryseobacterium indologenes FNSST 721
Concentration (Pharmacological Data)
0.1 - 0.5 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.008 mg/ml
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 16 of 35
Effect (Pharmacological Data)
antifungal
Species or Test-System (Pharmacological Data)
Candida albicans ATCC 6275
Concentration (Pharmacological Data)
0.1 - 0.5 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.093 mg/ml
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 17 of 35
Effect (Pharmacological Data)
antifungal
Species or Test-System (Pharmacological Data)
Aspergillus niger ATCC 10231
Concentration (Pharmacological Data)
0.1 - 0.5 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.082 mg/ml
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 18 of 35
Effect (Pharmacological Data)
antifungal
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Species or Test-System (Pharmacological Data)
Penicillium sp. FNSST 3724
Concentration (Pharmacological Data)
0.1 - 0.5 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
0.069 mg/ml
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 19 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Staphylococcus aureus ATCC 25923
Concentration (Pharmacological Data)
0.25 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)
DIZ
Value of Type (Pharmacological Data)
16 mm
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 20 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Bacillus cereus ATTC 11778
Concentration (Pharmacological Data)
0.25 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)
DIZ
Value of Type (Pharmacological Data)
11 mm
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 21 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Clostridium perfrigens FNSST 4999
Concentration (Pharmacological Data)
0.25 mg/disc
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Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)
DIZ
Value of Type (Pharmacological Data)
10 mm
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 22 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Enterococcus faecalis ATCC 29212
Concentration (Pharmacological Data)
0.25 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)
DIZ
Value of Type (Pharmacological Data)
8 mm
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 23 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Micrococcus luteus ATCC 49732
Concentration (Pharmacological Data)
0.25 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)
DIZ
Value of Type (Pharmacological Data)
16 mm
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 24 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Aeromonas hydrophila FNSST 050
Concentration (Pharmacological Data)
0.25 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data)
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Type (Pharmacological Data)
DIZ
Value of Type (Pharmacological Data)
15 mm
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 25 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Enterobacter sakazakii FNSST 021
Concentration (Pharmacological Data)
0.25 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)
DIZ
Value of Type (Pharmacological Data)
17 mm
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 26 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Klebsiella pneumoniae FNSST 011
Concentration (Pharmacological Data)
0.25 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)
DIZ
Value of Type (Pharmacological Data)
13 mm
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 27 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Escherichia coli FNSST 982
Concentration (Pharmacological Data)
0.25 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)
DIZ
Value of Type (Pharmacological Data)
17 mm
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Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 28 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Enterobacter cloacae FNSST 111
Concentration (Pharmacological Data)
0.25 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)
DIZ
Value of Type (Pharmacological Data)
17 mm
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 29 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Pseudomonas aeruginosa FNSST 014
Concentration (Pharmacological Data)
0.25 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)
DIZ
Value of Type (Pharmacological Data)
12 mm
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 30 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Vibrio vulnificus FNSST 982
Concentration (Pharmacological Data)
0.25 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)
DIZ
Value of Type (Pharmacological Data)
12 mm
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 31 of 35
Effect (Pharmacological Data)
antibacterial
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Species or Test-System (Pharmacological Data)
Pseudomonas luteola FNSST 983
Concentration (Pharmacological Data)
0.25 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)
DIZ
Value of Type (Pharmacological Data)
12 mm
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 32 of 35
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Chryseobacterium indologenes FNSST 721
Concentration (Pharmacological Data)
0.25 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)
DIZ
Value of Type (Pharmacological Data)
13 mm
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 33 of 35
Effect (Pharmacological Data)
antifungal
Species or Test-System (Pharmacological Data)
Candida albicans ATCC 6275
Concentration (Pharmacological Data)
0.25 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)
DIZ
Value of Type (Pharmacological Data)
14 mm
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 34 of 35
Effect (Pharmacological Data)
antifungal
Species or Test-System (Pharmacological Data)
Aspergillus niger ATCC 10231
Concentration (Pharmacological Data)
0.25 mg/disc
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Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)
DIZ
Value of Type (Pharmacological Data)
14 mm
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 35 of 35
Effect (Pharmacological Data)
antifungal
Species or Test-System (Pharmacological Data)
Penicillium sp. FNSST 3724
Concentration (Pharmacological Data)
0.25 mg/disc
Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)
DIZ
Value of Type (Pharmacological Data)
16 mm
Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys
Reaxys ID 22298785 View in Reaxys
75/77 Chemical Name: hydrodistillate of aerial parts of Aurinia leucadea (Guss.) C. Koch (Brassicaceae), after natural autolysis of fresh plant material, volatiles Type of Substance: mixture (composition partially given) Composition: Comp. Name: 3-butenyl-ITC; pent-4-en-1-yl isothiocyanate; s-BuN=C=S; 5-hexenenitrile; 3-propylacrolein; 1Hydroxy-2-trans-hexene; cis-3-hexene-1-ol; phenylacetonitrile; 4-Ethyl-2-methoxyphenol; 1-cyano-3-butene Note:
No Structure
Pharmacological Data (19) 1 of 19
Comment (Pharmacological Data)
Bioactivities present
Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 2 of 19
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Bacillus cereus ATCC 11778
Concentration (Pharmacological Data)
250 μg
Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data)
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Further Details (Pharma- disc diffusion assay; diameter of the inhibition zone (DD) cological Data) Type (Pharmacological Data)
DD
Value of Type (Pharmacological Data)
21.8 mm
Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 3 of 19
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Bacillus cereus ATCC 11778
Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- the microdilution assay; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
32 μg/ml
Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 4 of 19
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Enterococcus faecalis ATCC 29212
Concentration (Pharmacological Data)
250 μg
Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- disc diffusion assay; diameter of the inhibition zone (DD) cological Data) Type (Pharmacological Data)
DD
Value of Type (Pharmacological Data)
19.4 mm
Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 5 of 19
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Enterococcus faecalis ATCC 29212
Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- the microdilution assay; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
16 μg/ml
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Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 6 of 19
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Escherichia coli FNSST 982
Concentration (Pharmacological Data)
250 μg
Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- disc diffusion assay; diameter of the inhibition zone (DD) cological Data) Type (Pharmacological Data)
DD
Value of Type (Pharmacological Data)
19.7 mm
Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 7 of 19
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Escherichia coli FNSST 982
Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- the microdilution assay; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
32 μg/ml
Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 8 of 19
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Klebsiella pneumoniae FNSST 011
Concentration (Pharmacological Data)
250 μg
Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- disc diffusion assay; diameter of the inhibition zone (DD) cological Data) Type (Pharmacological Data)
DD
Value of Type (Pharmacological Data)
18.5 mm
Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 9 of 19
Effect (Pharmacological Data)
antibacterial
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Species or Test-System (Pharmacological Data)
Klebsiella pneumoniae FNSST 011
Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- the microdilution assay; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
32 μg/ml
Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 10 of 19
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Pseudomonas aeruginosa FNSST 014
Concentration (Pharmacological Data)
250 μg
Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- disc diffusion assay; diameter of the inhibition zone (DD) cological Data) Type (Pharmacological Data)
DD
Value of Type (Pharmacological Data)
15.2 mm
Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 11 of 19
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Pseudomonas aeruginosa FNSST 014
Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- the microdilution assay; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
8 μg/ml
Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 12 of 19
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Staphylococcus aureus ATCC 25923
Concentration (Pharmacological Data)
250 μg
Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data)
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Further Details (Pharma- disc diffusion assay; diameter of the inhibition zone (DD) cological Data) Type (Pharmacological Data)
DD
Value of Type (Pharmacological Data)
19.5 mm
Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 13 of 19
Effect (Pharmacological Data)
antibacterial
Species or Test-System (Pharmacological Data)
Staphylococcus aureus ATCC 25923
Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- the microdilution assay; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
32 μg/ml
Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 14 of 19
Effect (Pharmacological Data)
antifungal
Species or Test-System (Pharmacological Data)
Candida albicans ATCC 6275
Concentration (Pharmacological Data)
250 μg
Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- disc diffusion assay; diameter of the inhibition zone (DD) cological Data) Type (Pharmacological Data)
DD
Value of Type (Pharmacological Data)
19.6 mm
Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 15 of 19
Effect (Pharmacological Data)
antifungal
Species or Test-System (Pharmacological Data)
Candida albicans ATCC 6275
Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- the microdilution assay; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
2 μg/ml
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Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 16 of 19
Effect (Pharmacological Data)
antifungal
Species or Test-System (Pharmacological Data)
Penicillium sp. FNSST 3724
Concentration (Pharmacological Data)
250 μg
Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- disc diffusion assay; diameter of the inhibition zone (DD) cological Data) Type (Pharmacological Data)
DD
Value of Type (Pharmacological Data)
20.5 mm
Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 17 of 19
Effect (Pharmacological Data)
antifungal
Species or Test-System (Pharmacological Data)
Penicillium sp. FNSST 3724
Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- the microdilution assay; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
8 μg/ml
Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 18 of 19
Effect (Pharmacological Data)
antifungal
Species or Test-System (Pharmacological Data)
Rhizopus stolonifer FNSST 3833
Concentration (Pharmacological Data)
250 μg
Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- disc diffusion assay; diameter of the inhibition zone (DD) cological Data) Type (Pharmacological Data)
DD
Value of Type (Pharmacological Data)
19.7 mm
Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 19 of 19
Effect (Pharmacological Data)
antifungal
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Species or Test-System (Pharmacological Data)
Rhizopus stolonifer FNSST 3833
Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- the microdilution assay; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)
MIC
Value of Type (Pharmacological Data)
2 μg/ml
Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys
Reaxys ID 4740803 View in Reaxys
76/77 CAS Registry Number: 65108-03-4 Linear Structure Formula: C8H6N(1+) Molecular Formula: C8H6N Molecular Weight: 116.142 Type of Substance: isocyclic InChI Key: CWQAGGQMCJSCFS-UHFFFAOYSA-N Note:
N CH +
Reaxys ID 19237460 View in Reaxys
77/77 CAS Registry Number: 66785-37-3 Chemical Name: cesium phenylacetonitrile Linear Structure Formula: C8H6N(1-)*Cs(1+) Molecular Formula: C8H6N*Cs Molecular Weight: 249.048 InChI Key: CNWQMRJZSPYOGU-UHFFFAOYSA-N Note:
N
CH – Cs +
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