2-nitropropane by Asch

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2016-05-07 15h:05m:17s (EST)

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2016-05-07 15h:05m:38s (EST)

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Reaxys ID 1740684 View in Reaxys

1/1 CAS Registry Number: 79-46-9 Chemical Name: 2-nitropropane; 2-Nitropropane; nitro-iso-propane; 2-nitro-propane; 2-Nitro-propan; 2-aci-Nitro-propan; 2Isonitro-propan Linear Structure Formula: CH3CH(NO2)CH3 Molecular Formula: C3H7NO2 Molecular Weight: 89.0941 Type of Substance: acyclic InChI Key: FGLBSLMDCBOPQK-UHFFFAOYSA-N Note:

O N O

Substance Label (68) Label References 29

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Budzinska, Anna; Bukowska, Maria; Sas, Wojciech; Tetrahedron Letters; vol. 40; nb. 3; (1999); p. 565 568, View in Reaxys; Ballini, Roberto; Bosica, Giovanna; Damiani, Marco; Righi, Paolo; Tetrahedron; vol. 55; nb. 47; (1999); p. 13451 - 13456, View in Reaxys; Jin, Young Lee; Hong, Young-Taek; Kim, Sunggak; Angewandte Chemie - International Edition; vol. 45; nb. 37; (2006); p. 6182 - 6186, View in Reaxys; Zlotin, Sergey G.; Bogolyubov, Andrey V.; Kryshtal, Galina V.; Zhdankina, Galina M.; Struchkova, Marina I.; Tartakovsky, Vladimir A.; Synthesis; nb. 22; (2006); p. 3849 - 3854, View in Reaxys; Soengas, Raquel G.; Acrcio, Rita; Silva, Artur M. S.; Organic and Biomolecular Chemistry; vol. 12; nb. 43; (2014); p. 8593 - 8597, View in Reaxys

2-NP

Joong Kim, Seok; Reiter, Russel J.; Garay, M. Veronica Rouvier; Qi, Wenbo; El-Sokkary, Gamal H.; Tan, Dun-Xian; Toxicology; vol. 130; nb. 2-3; (1998); p. 183 - 190, View in Reaxys; Andrae, Ulrich; Kreis, Patricia; Coughtrie, Michael W.H.; Fabel, Ulrike; Meinl, Walter; Bartsch, Ingrid; Glatt, Hansruedi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 439; nb. 2; (1999); p. 191 - 197, View in Reaxys; Deng, Xin-Sheng; Tuo, Jinsheng; Poulsen, Henrik E.; Loft, Steffen; Mutation Research Genetic Toxicology and Environmental Mutagenesis; vol. 391; nb. 3; (1997); p. 165 - 169, View in Reaxys; Kohl; Gescher; Xenobiotica; vol. 27; nb. 8; (1997); p. 843 - 852, View in Reaxys; Shifman, Ana; Sprecher, Milon; Hoz, Shmaryahu; Journal of Physical Organic Chemistry; vol. 13; nb. 2; (2000); p. 105 - 111, View in Reaxys; Wang, Yong-Fa; Hu, Miao-Lin; Food and Chemical Toxicology; vol. 38; nb. 5; (2000); p. 451 - 458, View in Reaxys; Kreis, Patricia; Degen, Gisela H.; Andrae, Ulrich; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 413; nb. 1; (1998); p. 69 - 81, View in Reaxys; Gobin, Cedric; Marteau, Philippe; Petitet, Jean-Pierre; Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy; vol. 60; nb. 1-2; (2004); p. 329 - 336, View in Reaxys; Patent; DOW GLOBAL TECHNOLOGIES LLC; ANGUS CHEMICAL COMPANY; TOMLINSON, Ian; PEERA, Asghar; GREEN, George; WO2011/84273; (2011); (A1) English, View in Reaxys; Patent; ANGUS CHEMICAL COMPANY; DOW GLOBAL TECHNOLOGIES LLC; Tomlinson, Ian A.; Peera, Asghar A.; US2014/107376; (2014); (A1) English, View in Reaxys

Zhang, Yan; Ramstroem, Olof; Chemistry - A European Journal; vol. 20; nb. 12; (2014); p. 3288 - 3291, View in Reaxys

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Zhang, Yan; Hu, Lei; Ramstroem, Olof; Chemical Communications; vol. 49; nb. 18; (2013); p. 1805 - 1807, View in Reaxys

Vasilikogiannaki, Eleni; Gryparis, Charis; Kotzabasaki, Vasiliki; Lykakis, Ioannis N.; Stratakis, Manolis; Advanced Synthesis and Catalysis; vol. 355; nb. 5; (2013); p. 907 - 911, View in Reaxys

%i&PrNO&2%

Kojima, Hiroyuki; Takahata, Chisato; Lemin, David; Takahashi, Masato; Kumamoto, Takuya; Nakanishi, Waka; Suzuki, Noriyuki; Ishikawa, Tsutomu; Helvetica Chimica Acta; vol. 96; nb. 3; (2013); p. 379 388, View in Reaxys

12e

Pejovic, Anka; Damljanovic, Ivan; Stevanovic, Dragana; Ilic, Danijela; Vukicevic, Mirjana; Bogdanovic, Goran A.; Vukicevic, Rastko D.; Tetrahedron Letters; vol. 54; nb. 35; (2013); p. 4776 - 4780, View in Reaxys

i-PrNO&2%

Sawamura, Yasuhiro; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki; Chemical Science; vol. 4; nb. 11; (2013); p. 4181 - 4186, View in Reaxys

Lancianesi, Stefano; Palmieri, Alessandro; Petrini, Marino; Advanced Synthesis and Catalysis; vol. 355; nb. 16; (2013); p. 3285 - 3289, View in Reaxys

Cruz-Acosta, Fabio; De Armas, Pedro; Garcia-Tellado, Fernando; Chemistry - A European Journal; vol. 19; nb. 49; (2013); p. 16550 - 16554, View in Reaxys

Boyle, Grant A.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E.M.; Tetrahedron Asymmetry; vol. 15; nb. 23; (2004); p. 3775 - 3781, View in Reaxys; Zhou, Yirong; Liu, Qiang; Gong, Yuefa; Organic and Biomolecular Chemistry; vol. 10; nb. 37; (2012); p. 7618 - 7627, View in Reaxys

Deng, Yan-Qiu; Zhang, Zhen-Wei; Feng, Ya-Hui; Chan, Albert S.C.; Lu, Gui; Tetrahedron Asymmetry; vol. 23; nb. 24; (2012); p. 1647 - 1652, View in Reaxys

115

Patent; AMPLA PHARMACEUTICALS INC.; WO2009/73138; (2009); (A2) English, View in Reaxys

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; WO2008/100969; (2008); (A1) English, View in Reaxys

Dilman; Lyapkalo; Ioffe; Strelenko; Tartakovsky; Synthesis; nb. 10; (1999); p. 1767 - 1775, View in Reaxys; Meciarova, Maria; Toma, Stefan; Chemistry - A European Journal; vol. 13; nb. 4; (2007); p. 1268 - 1272, View in Reaxys

Trost, Barry M.; Surivet, Jean-Philippe; Angewandte Chemie - International Edition; vol. 39; nb. 17; (2000); p. 3122 - 3124, View in Reaxys; Ballini, Roberto; Balsamini, Cesarino; Diamantini, Giuseppe; Savoretti, Nicoletta; Synthesis; nb. 7; (2005); p. 1055 - 1057; Art.No: Z21904SS, View in Reaxys; Maki, Keisuke; Kanai, Motomu; Shibasaki, Masakatsu; Tetrahedron; vol. 63; nb. 20; (2007); p. 4250 - 4257, View in Reaxys

Terme, Thierry; Galtier, Christophe; Maldonado, Jose; Crozet, Michel P.; Gueiffier, Alain; Vanelle, Patrice; Journal of Heterocyclic Chemistry; vol. 39; nb. 1; (2002); p. 173 - 177, View in Reaxys; Vongvilai, Pornrapee; Angelin, Marcus; Larsson, Rikard; Ramstroem, Olof; Angewandte Chemie - International Edition; vol. 46; nb. 6; (2007); p. 948 - 950, View in Reaxys

Bako, Peter; Czinege, Erzsebet; Bako, Tibor; Czugler, Matyas; Toke, Laszlo; Tetrahedron Asymmetry; vol. 10; nb. 23; (1999); p. 4539 - 4551, View in Reaxys; Krawczyk, Henryk; Wolf, Wojciech M.; Sliwinski, Marcin; Journal of the Chemical Society. Perkin Transactions 1; nb. 24; (2002); p. 2794 - 2798, View in Reaxys; Asghar, Basim H. M.; Crampton, Michael R.; Organic and Biomolecular Chemistry; vol. 5; nb. 10; (2007); p. 1646 - 1654, View in Reaxys

i-PrNO2

Gautheron-Chapoulaud; Pandya; Cividino; Masson; Py; Vallee; Synlett; nb. 8; (2001); p. 1281 - 1283, View in Reaxys; Oriyama, Takeshi; Aoyagi, Masaru; Iwanami, Katsuyuki; Chemistry Letters; vol. 36; nb. 5; (2007); p. 612 - 613, View in Reaxys

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Ballini, Roberto; Gabrielli, Serena; Palmieri, Alessandro; Synlett; nb. 15; (2007); p. 2430 - 2432, View in Reaxys

Ballini, Roberto; Marcantoni, Enrico; Perella, Silvia; Journal of Organic Chemistry; vol. 64; nb. 8; (1999); p. 2954 - 2957, View in Reaxys; Ballini, Roberto; Fiorini, Dennis; Gil, Maria Victoria; Palmieri, Alessandro; Tetrahedron Letters; vol. 44; nb. 50; (2003); p. 9033 - 9034, View in Reaxys; Arcadi, Antonio; Bianchi, Gabriele; Inesi, Achille; Marinelli, Fabio; Rossi, Leucio; Synlett; nb. 7; (2007); p. 1031 - 1036, View in Reaxys; Singh, Krishna Nand; Raghuvanshi, Raghvendra Singh; Singh, Manorama; Indian Jour-

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nal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 46; nb. 5; (2007); p. 829 - 833, View in Reaxys (CH3)2CHNO2

Vnelle, Patrice; Benakli, Kamel; Giraud, Luc; Crozet, Michel P.; Synlett; nb. 6; (1999); p. 801 - 803, View in Reaxys; Halama, Ales; Machacek, Vladimir; Journal of the Chemical Society - Perkin Transactions 1; nb. 17; (1999); p. 2495 - 2499, View in Reaxys; Dahnz, Axel; Helmchen, Guenter; Synlett; nb. 5; (2006); p. 697 - 700, View in Reaxys

educt to 2a-j

Saravanan, Sivaperuman; Nithya, Arumugam; Muthusubramanian, Shanmugam; Journal of Heterocyclic Chemistry; vol. 43; nb. 1; (2006); p. 149 - 155, View in Reaxys

2c-H

Thanh, Binh Phan; Mayr, Herbert; European Journal of Organic Chemistry; nb. 11; (2006); p. 2530 - 2537, View in Reaxys

11b

Ye, Weiping; Leow, Dasheng; Goh, Serena Li Min; Tan, Chin-Tong; Chian, Chee-Hoe; Tan, ChoonHong; Tetrahedron Letters; vol. 47; nb. 6; (2006); p. 1007 - 1010, View in Reaxys

Petrini, Marino; Torregiani, Elisabetta; Tetrahedron Letters; vol. 47; nb. 21; (2006); p. 3501 - 3503, View in Reaxys

Substrate, Tab.3, run 8

Khalilzadeh, Mohammad A.; Hosseini, Abolfazl; Shokrollahzadeh, Mojtaba; Halvagar, Mohammad R.; Ahmadi, Daryoush; Mohannazadeh, Farajollah; Tajbakhsh, Mahmoud; Tetrahedron Letters; vol. 47; nb. 21; (2006); p. 3525 - 3528, View in Reaxys

Ballini, Roberto; Palmieri, Alessandro; Advanced Synthesis and Catalysis; vol. 348; nb. 10-11; (2006); p. 1154 - 1156, View in Reaxys

Me2CH-NO2

Fox, David J.; Morley, Thomas J.; Warren, Stuart; Organic and Biomolecular Chemistry; vol. 4; nb. 16; (2006); p. 3120 - 3124, View in Reaxys

Combes, Sebastien; Finet, Jean-Pierre; Tetrahedron; vol. 55; nb. 11; (1999); p. 3377 - 3386, View in Reaxys; Kamal, Ahmed; Chouhan, Gagan; Tetrahedron Asymmetry; vol. 16; nb. 16; (2005); p. 2784 - 2789, View in Reaxys

Benakli, Kamel; Terme, Thierry; Vanelle, Patrice; Synthetic Communications; vol. 32; nb. 12; (2002); p. 1859 - 1865, View in Reaxys; Katritzky, Alan R.; Abdel-Fattah, Ashraf A. A.; Gromova, Anna V.; Witek, Rachel; Steel, Peter J.; Journal of Organic Chemistry; vol. 70; nb. 23; (2005); p. 9211 - 9214, View in Reaxys

Scheme 1., 2

Klein, Thomas A.; Schkeryantz, Jeffrey M.; Tetrahedron Letters; vol. 46; nb. 27; (2005); p. 4535 - 4538, View in Reaxys

Santiago, Ana N.; Basso, Silvana M.; Toledo, Carlos A.; Rossi, Roberto A.; New Journal of Chemistry; vol. 29; nb. 7; (2005); p. 875 - 880, View in Reaxys

ANC; R1=Me, R2=H

Sukhorokov, Alexey Yu.; Bliznets, Igor V.; Lesiv, Alexey V.; Khomutova, Yulija A.; Strelenko, Yuriy A.; Ioffe, Sema L.; Synthesis; nb. 7; (2005); p. 1077 - 1082; Art.No: P14804SS, View in Reaxys

Choudary, Boyapati M.; Ranganath, Kalluri V. S.; Pal, Ujjwal; Kantam, Mannepalli L.; Sreedhar, Bojja; Journal of the American Chemical Society; vol. 127; nb. 38; (2005); p. 13167 - 13171, View in Reaxys

substrate, suppl. 4/2

Ye, Weiping; Xu, Junye; Tan, Chin-Tong; Tan, Choon-Hong; Tetrahedron Letters; vol. 46; nb. 40; (2005); p. 6875 - 6878, View in Reaxys

Me2CHNO2

Crich, David; Ranganathan, Krishnakumar; Huang, Xianhai; Organic Letters; vol. 3; nb. 12; (2001); p. 1917 - 1919, View in Reaxys; Tamura, Kenji; Yamazaki, Takashi; Kitazume, Tomoya; Kubota, Toshio; Journal of Fluorine Chemistry; vol. 126; nb. 6; (2005); p. 918 - 930, View in Reaxys

Tsogoeva, Svetlana B.; Jagtap, Sunil B.; Ardemasova, Zoya A.; Kalikhevich, Victor N.; European Journal of Organic Chemistry; nb. 19; (2004); p. 4014 - 4019, View in Reaxys

1c-H (R1=CH3, R2=CH3)

Bug, Thorsten; Lemek, Tadeusz; Mayr, Herbert; Journal of Organic Chemistry; vol. 69; nb. 22; (2004); p. 7565 - 7576, View in Reaxys

educt to 1-5,8

Wang, Wengui; Yu, Marvin; Tetrahedron Letters; vol. 45; nb. 38; (2004); p. 7141 - 7143, View in Reaxys

Djekou, Serge; Gellis, Armand; Maldonado, Jose; Crozet, Michel P.; Vanelle, Patrice; Heterocycles; vol. 55; nb. 3; (2001); p. 535 - 544, View in Reaxys; Kunetsky, Roman A.; Dilman, Alexander D.; Tsvaygboym, Konstantin P.; Ioffe, Sema L.; Strelenko, Yury A.; Tartakovsky, Vladimir A.; Synthesis; nb. 9; (2003); p. 1339 - 1346, View in Reaxys

1, R,R1=CH3

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2a,2d-h

Cheruku, Srinivasa R.; Padmanilayam, Maniyan P.; Vennerstrom, Jonathan L.; Tetrahedron Letters; vol. 44; nb. 18; (2003); p. 3701 - 3703, View in Reaxys

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Me2CNO2

Miyake, Noriaki; Kitazume, Tomoya; Journal of Fluorine Chemistry; vol. 122; nb. 2; (2003); p. 243 - 246, View in Reaxys

Misumi, Yukihiro; Matsumoto, Kiyoshi; Angewandte Chemie - International Edition; vol. 41; nb. 6; (2002); p. 1031 - 1033, View in Reaxys

start. to educt to 5E,Z

Benakli, Kamel; Terme, Thierry; Maldonado, Jose; Vanelle, Patrice; Heterocycles; vol. 57; nb. 9; (2002); p. 1689 - 1695, View in Reaxys

Kisanga, Philip B.; Ilankumaran, Palanichamy; Fetterly, Brandon M.; Verkade, John G.; Journal of Organic Chemistry; vol. 67; nb. 11; (2002); p. 3555 - 3560, View in Reaxys

Nishiwaki, Yoshiki; Sakaguchi, Satoshi; Ishii, Yasutaka; Journal of Organic Chemistry; vol. 67; nb. 16; (2002); p. 5663 - 5668, View in Reaxys

Novak; Tatai; Bako; Czugler; Keglevich; Toke; Synlett; nb. 3; (2001); p. 424 - 426, View in Reaxys

4a, R1=R2=CH3

Terme; Maldonado; Crozet; Vanelle; Synthetic Communications; vol. 31; nb. 24; (2001); p. 3877 - 3883, View in Reaxys

Martinez, Alicia; Urios, Amparo; Blanco, Manuel; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 467; nb. 1; (2000); p. 41 - 53, View in Reaxys

3j/k

Ballini, Roberto; Barboni, Luciano; Bosica, Giovanna; Petrini, Marino; Synlett; nb. 3; (2000); p. 391 393, View in Reaxys

i-C3H7NO2

Zhang, Yi-Xue; Bauer; Journal of Physical Chemistry A; vol. 104; nb. 6; (2000); p. 1207 - 1216, View in Reaxys

Rathelot, Pascal; Njoya, Yves; Maldonado, Jose; Crozet, Michel P.; Vanelle, Patrice; Heterocycles; vol. 53; nb. 5; (2000); p. 1075 - 1084, View in Reaxys

educt to 4a

Vanelle; Terme; Crozet; Tetrahedron Letters; vol. 41; nb. 33; (2000); p. 6383 - 6385, View in Reaxys

1, R1=R2=Me

Sebti, Said; Boukhal, Hassan; Hanafi, Naima; Boulaajaj, Said; Tetrahedron Letters; vol. 40; nb. 34; (1999); p. 6207 - 6209, View in Reaxys

Benoit, Didier; Chaplinski, Vladimir; Braslau, Rebecca; Hawker, Craig J.; Journal of the American Chemical Society; vol. 121; nb. 16; (1999); p. 3904 - 3920, View in Reaxys; Bako, Peter; Bajor, Zoltan; Toke, Laszlo; Journal of the Chemical Society - Perkin Transactions 1; nb. 24; (1999); p. 3651 - 3655, View in Reaxys

1;R=R1=Me

Ballini; Bosica; Petrelli; Petrini; Synthesis; nb. 7; (1999); p. 1236 - 1240, View in Reaxys

2NP

Sai; Kai; Umemura; Tanimura; Hasegawa; Inoue; Kurokawa; Food and Chemical Toxicology; vol. 36; nb. 12; (1998); p. 1043 - 1051, View in Reaxys; Hasegawa, R.; Chujo, T.; Sai-Kato, K.; Umemura, T.; Tanimura, A.; Kurokawa, Y.; Food and Chemical Toxicology; vol. 33; nb. 11; (1995); p. 961 - 970, View in Reaxys

2B-48

Morita, Takeshi; Asano, Norihide; Awogi, Takumi; Sasaki, Yu F.; Sato, Sei-Ichi; Shimada, Hiroyasu; Sutou, Sizuyo; Suzuki, Takayoshi; Wakata, Akihiro; Sofuni, Toshio; Hayashi, Makoto; Mutation Research Genetic Toxicology and Environmental Mutagenesis; vol. 389; nb. 1; (1997); p. 3 - 122, View in Reaxys

Patent-Specific Data (5) Prophetic ComLocation in Patent References pound Page/Page column

Patent; EISAI RandD MANAGEMENT CO., LTD.; Norimine, Yoshihiko; Takeda, Kunitoshi; Hagiwara, Koji; Suzuki, Yuichi; Ishihara, Yuki; Sato, Nobuaki; US2013/143907; (2013); (A1) English, View in Reaxys; Patent; Dow Global Technologies LLC; Angus Chemical Company; Peera, Asghar; Tomilnson, Ian; Robinson, Glen; US8552072; (2013); (B2) English, View in Reaxys; Patent; ANGUS CHEMICAL COMPANY; DOW GLOBAL TECHNOLOGIES LLC; Tomlinson, Ian A.; Peera, Asghar A.; US2014/107376; (2014); (A1) English, View in Reaxys Patent; Trauth, Daniel M.; Green, George D.; Swedo, Raymond J.; US2011/92750; (2011); (A1) English, View in Reaxys Patent; BASELL POLIOLEFINE ITALIA S.P.A.; WO2004/14838; (2004); (A1) English, View in Reaxys Patent; BASEL POLIOLEFINE ITALIA S.P.A.; WO2004/14839; (2004); (A1) English, View in Reaxys

prophetic product

Claim

Patent; Berg; Lloyd; US5425854; (1995); (A1) English, View in Reaxys

Related Structure (3)

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Related Structure

Referenced Com- References pound

The following tau- 2-nitropropane tomers are discussed: /BRN= 1840286/

Veltwisch, Dieter; Asmus, Klaus-Dieter; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1982); p. 1143 - 1146, View in Reaxys; Kohl, C.; Mynett, K.; Davies, J. E.; Gescher, A.; Chipman, J. K.; Mutation Research; vol. 321; nb. 1,2; (1994); p. 65 - 72, View in Reaxys

The author investigated the configuration

Shishkov, I. F.; Sadova, N. I.; Vilkov, L. V.; Pankrushev, Yu. A.; Journal of Structural Chemistry; vol. 24; nb. 2; (1983); p. 189 - 193; Zhurnal Strukturnoi Khimii; vol. 24; nb. 2; (1983); p. 25 - 30, View in Reaxys Berndt,A.; Angewandte Chemie; vol. 79; (1967); p. 240 - 241, View in Reaxys

Derivative (30) Comment (Derivative)

References

Li-salz: Rk. mit 2- Newcombe; Norris; Australian Journal of Chemistry; vol. 31; (1978); p. 2463,2471, 2472, 2476 ??, Nitrothiophenen; View in Reaxys Rk.-Mechanismus NBu4-salz: Rk. Freeman,D.J. et al.; Australian Journal of Chemistry; vol. 31; (1978); p. 2477 - 2490, View in Reaxys mit o-Nitrobenzylidendichlorid(dihalogeniden) NBu4-salz: Rk. Freeman,D.J. et al.; Australian Journal of Chemistry; vol. 31; (1978); p. 2477 - 2490, View in Reaxys mit p-Nitrobenzylidendichlorid(dihalogeniden) Tetrabutylammo- Newcombe; Norris; Australian Journal of Chemistry; vol. 31; (1978); p. 2463,2471, 2472, 2476 ??, nium-salz: Rk. mit View in Reaxys 2-Nitrothiophenen; Rk.-Mechanismus 2-Nitropropan-2Freeman,D.J. et al.; Australian Journal of Chemistry; vol. 31; (1978); p. 2477 - 2490, View in Reaxys id-Li-salz: Rk. mit p-Nitrobenzylidendichlorid(dihalogeniden) Na-Salz: Kinetik mit Di-(p-nitrophenyl)disulfid; Geschw.-Konst.

Bowman,W.R.; Richardson,G.D.; Tetrahedron Letters; (1977); p. 4519 - 4520, View in Reaxys

Lithiumsalz (Verb. Norris,R.K.; Randles,D.; Australian Journal of Chemistry; vol. 29; (1976); p. 2621 - 2629, View in Reaxys 1): Rk. mit subst. Benzylchloriden Lithiumsalz (Verb. Freeman,D.J.; Norris,R.K.; Australian Journal of Chemistry; vol. 29; (1976); p. 2631 - 2642, View in Reaxys 1): Rk. mit p-Nitrobenzylidendichlorid (4) bzw. mit 2-Methyl-2-nitro-1-p-nitrophenylpropylmethansulfonat (14) Li-Salz: Rk. mit FNO2

Fedorov et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 23; (1974); p. 879,880,881; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; vol. 23; (1974); p. 915, View in Reaxys

Na-Salz: 1H-NMR Lorberth; Lange; Journal of Organometallic Chemistry; vol. 54; (1973); p. 165,167, 170, View in Reaxys (S.169) Na-Salz: IR (Fig. 1/2, Tab.1)

Lorberth et al.; Journal of Organometallic Chemistry; vol. 54; (1973); p. 177,181-182, 185, View in Reaxys

K+-Salz: IR; UV

Fukuyama,M. et al.; Journal of the American Chemical Society; vol. 92; (1970); p. 4689 - 4699, View in Reaxys

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Li+-Salz: IR; UV

Fukuyama,M. et al.; Journal of the American Chemical Society; vol. 92; (1970); p. 4689 - 4699, View in Reaxys

Na+-Salz: IR; UV

Fukuyama,M. et al.; Journal of the American Chemical Society; vol. 92; (1970); p. 4689 - 4699, View in Reaxys

<(CH3)2CNO2>Na+: NMR

Witanowski; Shevelev; Journal of Molecular Spectroscopy; vol. 33; (1970); p. 19,20, View in Reaxys

Na-Salz: IR-, Raman-Sp.

Brookes; Jonathan; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 25; (1969); p. 187,188, View in Reaxys

Na-salz: C.: Rk. m. 4,5-Bis-(chlormethyl)-veratrol (KI) -> 4,5-Dimethoxy-phthalaldehyd; analoge Rk. m. anderen 1,2Bis-(chlormethyl)aromaten

El'cov; Ginesina; Zhurnal Organicheskoi Khimii; vol. 3; (1967); p. 191,184, View in Reaxys

K-Salz: Rk. mit 2Halo-2-nitropropanen (Kinetik)

Russell; Danen; Journal of the American Chemical Society; vol. 88; (1966); p. 5663, View in Reaxys

Na-Salz: IR-Sp. (KBr); UV-Sp. (W.); NMR-Sp.

Griswold,A.A.; Starcher,P.S.; Journal of Organic Chemistry; vol. 30; (1965); p. 1687 - 1690, View in Reaxys

Na-Salz: Charakteristische IRBanden

Feuer,H. et al.; Spectrochimica Acta; vol. 19; (1963); p. 431 - 434, View in Reaxys

Na-Salz: Rk. m. Kornblum,N.; Brown,R.A.; Journal of the American Chemical Society; vol. 85; (1963); p. 1359 - 1360, Et3OBF4, View in Reaxys CH2Cl2 (N2, -65 bis -60grad, 15min) -> Isopropyliden-nitronsaeureethylester Li-Salz: C3H6NO2Li; Prep.: 2-Nitropropan, LiOEt, A.; Rk. mit 4-NitroN,N,N-trimethylbenzylammonium-bromid oder 4-Nitrobenzylchlorid in DMF -> 2-Nitro-2-methyl-1-(4-nitrophenyl)-propan

Kornblum; Pink; Tetrahedron, Supplement; vol. 4; (1963); p. 17,19, View in Reaxys

Li-Salz: Kornblum; Pink; Tetrahedron, Supplement; vol. 4; (1963); p. 17,19, View in Reaxys C3H6NO2Li; Rk. mit 4-Nitrobenzyliodid (DMF, -18grad) -> 4-Nitrobenzaldehyd; Rk. mit 4-Nitrobenzylbromid oder p-TsOH-(4nitrobenzylester) (DMF, -16grad) -> 4-Nitrobenzaldehyd, 2-Nitro-2methyl-1-(4-nitrophenyl)-propan

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Na-Salz: Rk. mit Saeuren

Souchay; Armand; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 253; (1961); p. 460, View in Reaxys

Na-Salz: IR-Sp.; Zuordnung (S. 107)

Jonathan; Journal of Molecular Spectroscopy; vol. 7; (1961); p. 105,108, View in Reaxys

Li-Salz: Rk. mit 4- Kornblum,N. et al.; Journal of the American Chemical Society; vol. 83; (1961); p. 2779 - 2780, Nitrobenzyl-trime- View in Reaxys thylammoniumsalz (DMF, 25grad) u.a. 4-Nitrobenzyl-Verbb. lithium-salt; FurBachman; Hokama; Journal of the American Chemical Society; vol. 81; (1959); p. 4882,4885, ther Data see View in Reaxys Handbook (Chemical Behaviour) sodium-salt; Further Data see Handbook (Chemical Behaviour)

Donaruma; Huber; Journal of Organic Chemistry; vol. 21; (1956); p. 965, View in Reaxys; Bachman; Vogt; Journal of the American Chemical Society; vol. 80; (1958); p. 2987,2988, View in Reaxys; Hawthorne; Journal of the American Chemical Society; vol. 79; (1957); p. 2510,2512, View in Reaxys; Donaruma; Journal of Organic Chemistry; vol. 22; (1957); p. 1024,1026, View in Reaxys

potassium-salt; Zeldin; Shechter; Journal of the American Chemical Society; vol. 79; (1957); p. 4708,4712, View in Reaxys Further Data see Handbook (Chemical Behaviour) as 2-nitro-2-phenylazo-propane (mp: 105-107 degree )

Slebodzinski; Makaruk; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques; vol. <III> 3; (1955); p. 377,379, View in Reaxys

Purification (1) References Kemula; Sybilski; Roczniki Chemii; vol. 38; (1964); p. 861,864, 868, View in Reaxys; Kemula; Sybilska; Acta Chimica Academiae Scientiarum Hungaricae; vol. 27; (1961); p. 137, View in Reaxys; Kemula; Brzozowski; Roczniki Chemii; vol. 35; (1961); p. 711,715, View in Reaxys Melting Point (2) 1 of 2

Melting Point [°C]

-91.32

Toops; Journal of Physical Chemistry; vol. 60; (1956); p. 304, View in Reaxys 2 of 2

Melting Point [°C]

-93

Gabriel; Industrial and Engineering Chemistry; vol. 32; (1940); p. 891, View in Reaxys; Holcomb; Dorsey; Industrial and Engineering Chemistry; vol. 41; (1949); p. 2788, View in Reaxys Boiling Point (15) Boiling Point [°C] Pressure (Boiling Point) [Torr] 118 - 122 115 - 118

References Zarchi, Mohammad Ali Karimi; Zarei, Amin; Journal of the Chinese Chemical Society; vol. 52; nb. 2; (2005); p. 309 - 311, View in Reaxys

760

Gelbard,G.; Colonna,S.; Synthesis; (1977); p. 113 - 116, View in Reaxys

118

Mauret et al.; Bulletin de la Societe Chimique de France; (1974); p. 379, View in Reaxys

119 - 120

Fernandez; Fowler; Journal of Organic Chemistry; vol. 29; (1964); p. 402,403, View in Reaxys; Slebodzinski et al.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques; vol. 18; (1970); p. 677, View in Reaxys

25.2 - 26.4

131 40.8 - 41.8

Tenno; Talvik; Organic Reactivity (New York, English Translation); vol. 6; (1969); p. 383, View in Reaxys Fischer et al.; Pharmazeutische Zentralhalle; vol. 105; (1966); p. 73,74, View in Reaxys

Pikhl et al.; Organic Reactivity (New York, English Translation); vol. 3; (1966); p. 297,298, View in Reaxys

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119.5

760

Geiseler; Kessler; Tetrahedron, Supplement; vol. 6; (1964); p. 187,188, View in Reaxys

120.25

760

Toops; Journal of Physical Chemistry; vol. 60; (1956); p. 304, View in Reaxys

119.5

752

Vogel; Journal of the Chemical Society; (1948); p. 1809,1811, 1813; Chem.Abstr.; (1946); p. 5066, View in Reaxys

120.1

763

Wiswall; Smyth; Journal of Chemical Physics; vol. 9; (1941); p. 357, View in Reaxys

59 - 60

Pendl; Reitz; Sabathy; Proceedings - Indian Academy of Sciences, Section A; vol. 8; (1938); p. 511; Chem. Zentralbl.; vol. 110; nb. II; (1939); p. 1855, View in Reaxys

120

Kohler; Journal of the American Chemical Society; vol. 38; (1916); p. 896; Journal of the American Chemical Society; vol. 46; (1924); p. 510, View in Reaxys

117 - 120

Bewad; Journal fuer Praktische Chemie (Leipzig); vol. <2>48; (1893); p. 352, View in Reaxys

115 - 118

Meyer,V.; Justus Liebigs Annalen der Chemie; vol. 171; (1874); p. 43; Justus Liebigs Annalen der Chemie; vol. 175; (1875); p. 135, View in Reaxys

Refractive Index (16) Refractive Index Wavelength (Refractive Index) [nm]

Temperature (Refractive Index) [°C]

References

1.3923

589

Uosaki, Yasuhiro; Mutsumura, Hajime; Wakasa, Shinji; Moriyoshi, Takahashi; Journal of Chemical Thermodynamics; vol. 22; nb. 3; (1990); p. 313 - 318, View in Reaxys

1.391

527

Lushnikov, V. N.; Rubtsov, Yu. I.; Eremenko, L. T.; Korolev, A. M.; Russian Journal of Physical Chemistry; vol. 62; nb. 5; (1988); p. 612 - 615; Zhurnal Fizicheskoi Khimii; vol. 62; (1988); p. 1209 - 1214, View in Reaxys

1.3924

589

Geiseler; Kessler; Tetrahedron, Supplement; vol. 6; (1964); p. 187,188, View in Reaxys; Clever; Hsu; Journal of Chemical Thermodynamics; vol. 10; (1978); p. 213,214, 216 - 218, View in Reaxys

1.39235

589

Toops; Journal of Physical Chemistry; vol. 60; (1956); p. 304, View in Reaxys; Hsu; Clever; Journal of Chemical and Engineering Data; vol. 20; (1975); p. 268,269 - 271, View in Reaxys

1.3921

589

Boyd; Copeland; Journal of the American Chemical Society; vol. 64; (1942); p. 2542, View in Reaxys; Mauret et al.; Bulletin de la Societe Chimique de France; (1974); p. 379, View in Reaxys Derrick; Clever; Journal of Physical Chemistry; vol. 75; (1971); p. 3728, View in Reaxys

1.3946

589

Tenno; Talvik; Organic Reactivity (New York, English Translation); vol. 6; (1969); p. 383, View in Reaxys

1.3944

589

Holcomb; Dorsey; Industrial and Engineering Chemistry; vol. 41; (1949); p. 2788, View in Reaxys; Pikhl et al.; Organic Reactivity (New York, English Translation); vol. 3; (1966); p. 297,298, View in Reaxys

1.3961

589

Fischer et al.; Pharmazeutische Zentralhalle; vol. 105; (1966); p. 73,74, View in Reaxys

1.3943

589

Vogel; Journal of the Chemical Society; (1948); p. 1809,1811, 1813; Chem.Abstr.; (1946); p. 5066, View in Reaxys; Geiseler; Kessler; Tetrahedron, Supplement; vol. 6; (1964); p. 187,188, View in Reaxys

1.381

589

Geiseler; Kessler; Tetrahedron, Supplement; vol. 6; (1964); p. 187,188, View in Reaxys

1.39439

589

Toops; Journal of Physical Chemistry; vol. 60; (1956); p. 304, View in Reaxys

1.39028

589

Toops; Journal of Physical Chemistry; vol. 60; (1956); p. 304, View in Reaxys

1.392

656.3

Vogel; Journal of the Chemical Society; (1948); p. 1809,1811, 1813; Chem.Abstr.; (1946); p. 5066, View in Reaxys

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1.4

486.1

Vogel; Journal of the Chemical Society; (1948); p. 1809,1811, 1813; Chem.Abstr.; (1946); p. 5066, View in Reaxys

1.4042

434

Vogel; Journal of the Chemical Society; (1948); p. 1809,1811, 1813; Chem.Abstr.; (1946); p. 5066, View in Reaxys

Density (15) 1 of 15

Density [g·cm-3]

0.9837

Measurement Temperature [°C]

Uosaki, Yasuhiro; Mutsumura, Hajime; Wakasa, Shinji; Moriyoshi, Takahashi; Journal of Chemical Thermodynamics; vol. 22; nb. 3; (1990); p. 313 - 318, View in Reaxys 2 of 15

Density [g·cm-3]

0.9773

Measurement Temperature [°C]

Clever; Hsu; Journal of Chemical Thermodynamics; vol. 10; (1978); p. 213,214, 216 - 218, View in Reaxys; Hsu; Clever; Journal of Chemical and Engineering Data; vol. 20; (1975); p. 268,269 - 271, View in Reaxys; Dewan, R.K.; Sharma, A.K.; Mehta, S.K.; Journal of Solution Chemistry; vol. 17; nb. 5; (1988); p. 459 - 466, View in Reaxys 3 of 15

Density [g·cm-3]

1.043

Reference Temperature [°C]

Measurement Temperature [°C]

Density [g·cm-3]

Reference Temperature [°C]

Measurement Temperature [°C]

Tolstova et.al; J. Appl. Chem. USSR (Engl. Transl.); vol. 46; (1973); p. 907,959, View in Reaxys 5 of 15

Density [g·cm-3]

0.997

Reference Temperature [°C]

Measurement Temperature [°C]

Tenno; Talvik; Organic Reactivity (New York, English Translation); vol. 6; (1969); p. 383, View in Reaxys 6 of 15

Density [g·cm-3]

0.9927

Reference Temperature [°C]

Measurement Temperature [°C]

Pikhl et al.; Organic Reactivity (New York, English Translation); vol. 3; (1966); p. 297,298, View in Reaxys 7 of 15

Density [g·cm-3]

0.955

Reference Temperature [°C]

Measurement Temperature [°C]

Geiseler; Kessler; Tetrahedron, Supplement; vol. 6; (1964); p. 187,188, View in Reaxys 8 of 15

Density [g·cm-3]

0.9829

Reference Temperature [°C]

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Measurement Temperature [°C]

Geiseler; Kessler; Tetrahedron, Supplement; vol. 6; (1964); p. 187,188, View in Reaxys 9 of 15

Density [g·cm-3]

0.9879

Reference Temperature [°C]

Measurement Temperature [°C]

Geiseler; Kessler; Tetrahedron, Supplement; vol. 6; (1964); p. 187,188, View in Reaxys 10 of 15

Density [g·cm-3]

0.98839

Measurement Temperature [°C]

Toops; Journal of Physical Chemistry; vol. 60; (1956); p. 304, View in Reaxys 11 of 15

Density [g·cm-3]

0.9829

Measurement Temperature [°C]

Toops; Journal of Physical Chemistry; vol. 60; (1956); p. 304, View in Reaxys 12 of 15

Density [g·cm-3]

0.9774

Measurement Temperature [°C]

Toops; Journal of Physical Chemistry; vol. 60; (1956); p. 304, View in Reaxys 13 of 15

Density [g·cm-3]

0.9162 - 0.9876

Reference Temperature [°C]

Measurement Temperature [°C]

20 - 86.8

Vogel; Journal of the Chemical Society; (1948); p. 1809,1811, 1813; Chem.Abstr.; (1946); p. 5066, View in Reaxys 14 of 15

Density [g·cm-3]

0.9841

Reference Temperature [°C]

Measurement Temperature [°C]

Boyd; Copeland; Journal of the American Chemical Society; vol. 64; (1942); p. 2542, View in Reaxys 15 of 15

Density [g·cm-3]

1.024

Measurement Temperature [°C]

Bewad; Journal fuer Praktische Chemie (Leipzig); vol. <2>48; (1893); p. 352, View in Reaxys Adsorption (MCS) (1) 1 of 1

Description (Adsorption (MCS))

Adsorption isotherm

Solvent (Adsorption (MCS))

methanol; H2O

Partner (Adsorption (MCS))

alkylated silica gel

Guglya, E. B.; Yanovskii, S. M.; Russian Journal of Physical Chemistry; vol. 60; nb. 12; (1986); p. 1846 - 1849; Zhurnal Fizicheskoi Khimii; vol. 60; (1986); p. 3069 - 3073, View in Reaxys Association (MCS) (10) 1 of 10

Description (Association Association with compound (MCS))

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Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

cycloheptaamylose

Shtykov; Korenman; Rusanova; Gorin; Kalach; Pankin; Doklady Chemistry; vol. 396; nb. 4-6; (2004); p. 119 121, View in Reaxys 2 of 10

Description (Association NMR spectrum of the complex (MCS)) Solvent (Association (MCS))

2-methyl-propan-2-ol

Partner (Association (MCS))

triethyl borane; potassium tert-butylate

Shifman, Ana; Sprecher, Milon; Hoz, Shmaryahu; Journal of Physical Organic Chemistry; vol. 13; nb. 2; (2000); p. 105 - 111, View in Reaxys 3 of 10

Description (Association NMR spectrum of the complex (MCS)) Solvent (Association (MCS))

2-methyl-propan-2-ol

Partner (Association (MCS))

triethyl borane

Shifman, Ana; Sprecher, Milon; Hoz, Shmaryahu; Journal of Physical Organic Chemistry; vol. 13; nb. 2; (2000); p. 105 - 111, View in Reaxys 4 of 10

Description (Association NMR spectrum of the complex (MCS)) Solvent (Association (MCS))

2-methyl-propan-2-ol

Partner (Association (MCS))

potassium tert-butylate

Shifman, Ana; Sprecher, Milon; Hoz, Shmaryahu; Journal of Physical Organic Chemistry; vol. 13; nb. 2; (2000); p. 105 - 111, View in Reaxys 5 of 10

Description (Association IR spectrum of the complex (MCS)) Solvent (Association (MCS))

CH2Cl2

Temperature (Association (MCS)) [°C]

24.9

Partner (Association (MCS))

4-Fluorophenol

Chardin, Aurelie; Laurence, Christian; Berthelot, Michel; Morris, David G.; Bulletin de la Societe Chimique de France; vol. 133; nb. 4; (1996); p. 389 - 393, View in Reaxys 6 of 10

Description (Association IR spectrum of the complex (MCS)) Solvent (Association (MCS))

CH2Cl2

Temperature (Association (MCS)) [°C]

24.9

Partner (Association (MCS))

methanol

Chardin, Aurelie; Laurence, Christian; Berthelot, Michel; Morris, David G.; Bulletin de la Societe Chimique de France; vol. 133; nb. 4; (1996); p. 389 - 393, View in Reaxys 7 of 10

Description (Association Stability constant of the complex with ... (MCS))

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Solvent (Association (MCS))

CCl4

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

4-Fluorophenol

Laurence, Christian; Berthelot, Michel; Lucon, Maryvonne; Morris, David G.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); nb. 3; (1994); p. 491 - 494, View in Reaxys 8 of 10

Description (Association Further physical properties of the complex (MCS)) Partner (Association (MCS))

water

Abraham, Michael H.; Whiting, Gary S.; Fuchs, Richard; Chambers, Eric J.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); nb. 2; (1990); p. 291 - 300, View in Reaxys 9 of 10

Description (Association Further physical properties of the complex (MCS)) Partner (Association (MCS))

cetane

Description (Association Spectrum of the complex (MCS)) Baitinger et al.; Tetrahedron; vol. 20; (1964); p. 1635,1639, View in Reaxys

Azeotropes (MCS) (8) 1 of 8

Temperature (Azeotropes (MCS)) [°C]

88.4

Pressure (Azeotropes (MCS)) [Torr]

760

Azeotropes

water

Ericsson; Industrial and Engineering Chemistry; vol. 35; (1943); p. 1028, View in Reaxys 2 of 8

Azeotropes

water

Horsley; Azeotropic Data II(=Advances in Chemistry Series Nr.35)<Washington 1962>S.77, View in Reaxys 3 of 8

Azeotropes

ethanol

Horsley; Azeotropic Data II(=Advances in Chemistry Series Nr.35)<Washington 1962>S.77, View in Reaxys 4 of 8

Azeotropes

propan-1-ol

Horsley; Azeotropic Data II(=Advances in Chemistry Series Nr.35)<Washington 1962>S.77, View in Reaxys 5 of 8

Azeotropes

propan-2-ol

Horsley; Azeotropic Data II(=Advances in Chemistry Series Nr.35)<Washington 1962>S.77, View in Reaxys 6 of 8

Azeotropes

butan-1-ol

Horsley; Azeotropic Data II(=Advances in Chemistry Series Nr.35)<Washington 1962>S.77, View in Reaxys 7 of 8

Azeotropes

butan-2-ol

Horsley; Azeotropic Data II(=Advances in Chemistry Series Nr.35)<Washington 1962>S.77, View in Reaxys 8 of 8

Azeotropes

isobutyl alcohol

Horsley; Azeotropic Data II(=Advances in Chemistry Series Nr.35)<Washington 1962>S.77, View in Reaxys Circular Dichroism (1) References Hayward; Totty; Canadian Journal of Chemistry; vol. 49; (1971); p. 624, View in Reaxys; Barth et al.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1979); p. 907,908, View in Reaxys Compressibility (1)

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Description (Com- References pressibility) Isothermal compressibility

Uosaki, Yasuhiro; Mutsumura, Hajime; Wakasa, Shinji; Moriyoshi, Takahashi; Journal of Chemical Thermodynamics; vol. 22; nb. 3; (1990); p. 313 - 318, View in Reaxys

Conformation (1) Object of Investi- References gation Conformation

Stone; Maki; Journal of Chemical Physics; vol. 37; (1962); p. 1326,1329, View in Reaxys; Chapelet-Letourneux et al.; Bulletin de la Societe Chimique de France; (1968); p. 3963, View in Reaxys

Crystal Property Description (1) Colour & Other Location Properties colourless

supporting information

References Chatterjee, Nachiketa; Bhatt, Divya; Goswami, Avijit; Organic and Biomolecular Chemistry; vol. 13; nb. 17; (2015); p. 4828 - 4832, View in Reaxys

Decomposition (1) 1 of 1

Hogeveen; Recueil des Travaux Chimiques des Pays-Bas; vol. 86; (1967); p. 1320, View in Reaxys

Dielectric Constant (2) Dielectric ConFrequency (Diestant lectric Constant) [Hz]

Temperature (Die- References lectric Constant) [°C]

27.27

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 Ihrig; Smith; Journal of the American Chemical Society; vol. 94; (1972); p. 34,35, View in Reaxys; Zboinski et al.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques; vol. 27; (1979); p. 85,87,91, View in Reaxys; Ovsoyan; Levin; Journal of Structural Chemistry; vol. 13; (1972); p. 668; ; p. 721, View in Reaxys; Watanabe; Kogyo Kagaku Zasshi; vol. 72; (1969); p. 829,830, 834; Chem.Abstr.; vol. 71; nb. 54030; (1969), View in Reaxys; Vsetecka; Exner; Collection of Czechoslovak Chemical Communications; vol. 39; (1974); p. 1140,1143, 1147, View in Reaxys; Wilson; Wogman; Journal of Physical Chemistry; vol. 66; (1962); p. 1552, View in Reaxys

Dissociation Energy (2) Dissociation EnBond Type ergy [Jmol-1] 363414

C-H

References Bordwell, F. G.; Zhao, Yongyu; Journal of Organic Chemistry; vol. 60; nb. 20; (1995); p. 6348 - 6352, View in Reaxys Cumming et al.; Canadian Journal of Chemistry; vol. 55; (1977); p. 3474,3477, View in Reaxys

Dissociation Exponent (20) 1 of 20

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

water

Type (Dissociation Exponent)

a1/thermodynamic

Lysova; Zevatskii; Demidov; Novoselov; Russian Journal of General Chemistry; vol. 85; nb. 4; (2015); p. 781 785; Art.No: 1707, View in Reaxys 2 of 20

Type (Dissociation Exponent)

a1/apparent

Bordwell, Frederick G.; Satish; Journal of the American Chemical Society; vol. 116; nb. 20; (1994); p. 8885 - 8889, View in Reaxys 3 of 20

Dissociation Exponent (pK)

7.57

Dissociation Group

C-H

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Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O; various solvent(s)

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Gilbert, H. F.; Journal of the American Chemical Society; vol. 102; nb. 23; (1980); p. 7059 - 7065, View in Reaxys 4 of 20

Comment (Dissociation Exponent)

(pk')

Bordwell,F.G. et al.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1979); p. 726 - 728, View in Reaxys; Cumming et al.; Canadian Journal of Chemistry; vol. 55; (1977); p. 3474,3477, View in Reaxys 5 of 20

Comment (Dissociation Exponent)

(pk')pK

Bordwell et al.; Journal of Organic Chemistry; vol. 43; (1978); p. 3095,3096, View in Reaxys; Bordwell et al.; Journal of Organic Chemistry; vol. 43; (1978); p. 3107,3108, View in Reaxys 6 of 20

Comment (Dissociation Exponent)

(pk')pK(a)-Werte in versch. Lsgsm. (Tab.1)

Cox; Gibson; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1977); p. 1812,1813, 1814, View in Reaxys 7 of 20

Comment (Dissociation Exponent)

(pk')pK(a) (Table I)

Spinner; Journal of Organic Chemistry; vol. 40; (1975); p. 3580,3581,3583, View in Reaxys 8 of 20

Comment (Dissociation Exponent)

(pk')pK-Wert (s. Tab.)

Marshall,D.R. et al.; Journal of the Chemical Society, Chemical Communications; (1975); p. 940 - 941, View in Reaxys 9 of 20

Comment (Dissociation Exponent)

(pk')pK(s)-Wert in DMSO

Bordwell,F.G. et al.; Journal of the American Chemical Society; vol. 97; (1975); p. 7160 - 7162, View in Reaxys 10 of 20

Comment (Dissociation Exponent)

(pk')des Acetat-kat. Proton-Transfers in (CH3)2SO-H2O

Cox; Gibson; Journal of the Chemical Society, Chemical Communications; (1974); p. 638, View in Reaxys 11 of 20

Comment (Dissociation Exponent)

(pk')pK des Acetat-kat. Proton-Transfers in CF3CH2OH-H2O

Cox; Gibson; Journal of the Chemical Society, Chemical Communications; (1974); p. 638, View in Reaxys 12 of 20

Comment (Dissociation Exponent)

(pk')in waessriger Lsg.

Matsui; Hepler; Canadian Journal of Chemistry; vol. 51; (1973); p. 1941,1943, View in Reaxys 13 of 20

Comment (Dissociation Exponent)

(pk')pK (Tributylphosphate)

Fedorov; Aksenenko; Russian Journal of Physical Chemistry; vol. 46; (1972); p. 1166; ; p. 2040, View in Reaxys 14 of 20

Comment (Dissociation Exponent)

(pk')pK (Acn.)

Fedorov; Aksenenko; Russian Journal of Physical Chemistry; vol. 46; (1972); p. 1166; ; p. 2040, View in Reaxys 15 of 20

Comment (Dissociation Exponent)

(k')Tabelle 6

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Belikov et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 20; (1971); p. 272,275; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; vol. 20; (1971); p. 335, View in Reaxys 16 of 20

Comment (Dissociation Exponent)

(pk')pK(a) in DMSO

Faleev et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); (1970); p. 69; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; (1970); p. 73, View in Reaxys 17 of 20

Comment (Dissociation Exponent)

(pk')pK (DMF)

Fedorov et al.; Russian Journal of Physical Chemistry; vol. 43; (1969); p. 838; Zhurnal Fizicheskoi Khimii; vol. 43; (1969); p. 1508, View in Reaxys 18 of 20

Comment (Dissociation Exponent)

(pk')pK(a): 13.19

Belonkon' et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); (1969); p. 949,950,954; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; (1969); p. 1039, View in Reaxys 19 of 20

Dissociation Exponent (pK)

7.67

Temperature (Dissociation Exponent) [°C]

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

apparent

Comment (Dissociation Exponent)

wahre Dissoziationskonstante K:Elektrolytische Dissoziationskonstante der Nitro-Form.

Turnbull; Maron; Journal of the American Chemical Society; vol. 65; (1943); p. 212,217, View in Reaxys 20 of 20

Dissociation Exponent (pK)

5.11

Temperature (Dissociation Exponent) [°C]

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

apparent

Comment (Dissociation Exponent)

wahre Dissoziationskonstante K:Elektrolytische Dissoziationskonstante der aci-Form.

Turnbull; Maron; Journal of the American Chemical Society; vol. 65; (1943); p. 212,217, View in Reaxys Dynamic Viscosity (2) Dynamic Viscosi- Temperature (Dyty [P] namic Viscosity) [°C]

References

0.00771

Yadava, Raja R.; Yadava, Sarvanand S.; Singh, Vishwa N.; Journal of Chemical & Engineering Data; vol. 33; nb. 4; (1988); p. 402 - 404, View in Reaxys

0.0075

Holcomb; Dorsey; Industrial and Engineering Chemistry; vol. 41; (1949); p. 2788, View in Reaxys

Electrical Data (2) 1 of 2

Description (Electrical Data)

Dielectric relaxation time

Chandra; Nath; Bulletin of the Chemical Society of Japan; vol. 43; (1970); p. 1614, View in Reaxys 2 of 2

Description (Electrical Data)

Electrical conductivity

Chaldna et al.; Reaktsionnaya Sposobnost Organicheskikh Soedinenii; vol. 2; nb. 4; (1965); p. 91,94, View in Reaxys

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Electrical Moment (12) 1 of 12

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

3.48

Temperature (Electrical Moment) [°C]

Method (Electrical Moment)

Microwave absorption

Solvent (Electrical Moment)

benzene

Tan, Bee-Geok; Chia, Lawrence H. L.; Huang, Hsing-Hua; Kuok, Meng-Hau; Tang, Sing-Hai; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); nb. 8; (1984); p. 1407 - 1414, View in Reaxys 2 of 12

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

3.52

Temperature (Electrical Moment) [°C]

Method (Electrical Moment)

Microwave absorption

Solvent (Electrical Moment)

CCl4

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

3.69

Temperature (Electrical Moment) [°C]

Method (Electrical Moment)

Dielectric constant (ε)

Solvent (Electrical Moment)

cyclohexane

Yadava, R. R.; Singh, V. N.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 21; nb. 1; (1982); p. 17 - 19, View in Reaxys 4 of 12

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

3.7

Temperature (Electrical Moment) [°C]

Method (Electrical Moment)

Dielectric constant (ε)

Solvent (Electrical Moment)

1,3,5-trimethyl-benzene

Yadava, R. R.; Singh, V. N.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 21; nb. 1; (1982); p. 17 - 19, View in Reaxys 5 of 12

Description (Electrical Moment)

Dipole moment

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Moment (Electrical Moment) [D]

3.73

Temperature (Electrical Moment) [°C]

Method (Electrical Moment)

Dielectric constant (ε)

Solvent (Electrical Moment)

xylene

Yadava, R. R.; Singh, V. N.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 21; nb. 1; (1982); p. 17 - 19, View in Reaxys 6 of 12

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

3.76

Temperature (Electrical Moment) [°C]

Method (Electrical Moment)

Dielectric constant (ε)

Solvent (Electrical Moment)

benzene

Yadava, R. R.; Singh, V. N.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 21; nb. 1; (1982); p. 17 - 19, View in Reaxys 7 of 12

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

3.73

Temperature (Electrical Moment) [°C]

19.9

Solvent (Electrical Moment)

benzene

Balakier, Grazyna; Polish Journal of Chemistry; vol. 54; nb. 11/12; (1980); p. 2297 - 2304, View in Reaxys 8 of 12

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

3.73

Temperature (Electrical Moment) [°C]

19.9

Solvent (Electrical Moment)

CCl4

Balakier, Grazyna; Polish Journal of Chemistry; vol. 54; nb. 11/12; (1980); p. 2297 - 2304, View in Reaxys 9 of 12

Description (Electrical Moment)

Dipole moment

Exner; Vsetecka; Tetrahedron Letters; (1972); p. 4613, View in Reaxys; Mauret et al.; Bulletin de la Societe Chimique de France; (1974); p. 379, View in Reaxys; Barth et al.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1979); p. 907,908, View in Reaxys; Vsetecka; Exner; Collection of Czechoslovak Chemical Communications; vol. 39; (1974); p. 1140,1143, 1147, View in Reaxys 10 of 12

Description (Electrical Moment)

Dipole moment

Comment (Electrical Moment)

Zboinski et al.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques; vol. 27; (1979); p. 85,87,91, View in Reaxys; Polezzo; Simonetta; Chemical Physics Letters; vol. 1; (1967); p. 85, View in Reaxys; Chandra; Nath; Bulletin of the Chemical Society of Japan; vol. 43; (1970); p. 1614, View in Reaxys

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11 of 12

Description (Electrical Moment)

Dipole moment

Comment (Electrical Moment)

Table 1

Exner; Vsetecka; Tetrahedron Letters; (1972); p. 4613, View in Reaxys 12 of 12

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

3.73

Method (Electrical Moment)

Dielectric constant (ε)

Wiswall; Smyth; Journal of Chemical Physics; vol. 9; (1941); p. 357, View in Reaxys Electrochemical Behaviour (8) Description (Elec- Comment (Electrochemical Betrochemical Behaviour) haviour)

References

Electrolytic dissociation / protonation equilibrium

Bordwell, Frederick G.; Satish; Journal of the American Chemical Society; vol. 116; nb. 20; (1994); p. 8885 - 8889, View in Reaxys; Bordwell, F. G.; Zhao, Yongyu; Journal of Organic Chemistry; vol. 60; nb. 20; (1995); p. 6348 - 6352, View in Reaxys

Kinetics of dissociation (electrolytic) / protonation

Matsui; Hepler; Canadian Journal of Chemistry; vol. 51; (1973); p. 1941,1943, View in Reaxys; Gold, Victor; Laali, Khosrow; Morris, Kenneth P.; Zdunek, Leszek Z.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1985); p. 865 - 870, 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; Gold, Victor; Laali, Khosrow; Morris, Kenneth P.; Zdunek, Leszek Z.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1985); p. 865 - 870, View in Reaxys

Acidity

Cumming; Kebarle; Canadian Journal of Chemistry; vol. 56; (1978); p. 1,5, View in Reaxys; Cumming; Kebarle; Journal of the American Chemical Society; vol. 100; (1978); p. 1835,1836, View in Reaxys

Enthalpy of disso- . ciation (electrolytic) / protonation

Matsui; Hepler; Canadian Journal of Chemistry; vol. 51; (1973); p. 1941,1943, View in Reaxys

Electrochemical properties

Bartak; Hawley; Journal of Electroanalytical Chemistry and Interfacial Electrochemistry; vol. 33; (1971); p. 13,17, View in Reaxys

Polarography

Mocker; Kautschuk und Gummi; vol. 13; (1960); p. 91,94,96,98,100,102,104,106,108; Chem.Abstr.; vol. 54; nb. 13705; (1960), View in Reaxys

pH of aqueous solutions

gesaettigt, bei 20grad:4.29.

Gabriel; Industrial and Engineering Chemistry; vol. 32; (1940); p. 891, View in Reaxys

Electrochemical Characteristics (13) 1 of 13

Description (Electrochemical Characteristics)

oxidation potential

Bordwell, F. G.; Zhao, Yongyu; Journal of Organic Chemistry; vol. 60; nb. 20; (1995); p. 6348 - 6352, View in Reaxys 2 of 13

Description (Electrochemical Characteristics)

redox potential

Solvent (Electrochemical Characteristics)

acetonitrile; methanol

pH-Value (Electrochemi- 1.09 cal Characteristics) Temperature (Electrochemical Characteristics) [°C]

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Comment (Electrochem- -0.98 V; Product: /BRN= 605272/. No. of transm. electrons: 4. Method: cyclovoltammetry ical Characteristics) Product

N-isopropylhydroxyamine

Theodoridou, E.; Jannakoudakis, A.D.; Jannakoudakis, D.; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 134; (1983); p. 227 - 242, View in Reaxys 3 of 13

Description (Electrochemical Characteristics)

redox potential

Solvent (Electrochemical Characteristics)

acetonitrile; methanol

pH-Value (Electrochemi- 2.1 cal Characteristics) Temperature (Electrochemical Characteristics) [°C]

Comment (Electrochem- -1.04 V; Product: /BRN= 605272/. No. of transm. electrons: 4. Method: cyclovoltammetry ical Characteristics) Product

N-isopropylhydroxyamine

Theodoridou, E.; Jannakoudakis, A.D.; Jannakoudakis, D.; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 134; (1983); p. 227 - 242, View in Reaxys 4 of 13

Description (Electrochemical Characteristics)

redox potential

Solvent (Electrochemical Characteristics)

acetonitrile; methanol

pH-Value (Electrochemi- 3.12 cal Characteristics) Temperature (Electrochemical Characteristics) [°C]

Comment (Electrochem- -1.1 V; Product: /BRN= 605272/. No. of transm. electrons: 4. Method: cyclovoltammetry ical Characteristics) Product

N-isopropylhydroxyamine

Theodoridou, E.; Jannakoudakis, A.D.; Jannakoudakis, D.; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 134; (1983); p. 227 - 242, View in Reaxys 5 of 13

Description (Electrochemical Characteristics)

redox potential

Solvent (Electrochemical Characteristics)

acetonitrile; methanol

pH-Value (Electrochemi- 4.05 cal Characteristics) Temperature (Electrochemical Characteristics) [°C]

Comment (Electrochem- -1.16 V; Product: /BRN= 605272/. No. of transm. electrons: 4. Method: cyclovoltammetry ical Characteristics) Product

N-isopropylhydroxyamine

Theodoridou, E.; Jannakoudakis, A.D.; Jannakoudakis, D.; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 134; (1983); p. 227 - 242, View in Reaxys 6 of 13

Description (Electrochemical Characteristics)

redox potential

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Solvent (Electrochemical Characteristics)

acetonitrile; methanol

pH-Value (Electrochemi- 5.08 cal Characteristics) Temperature (Electrochemical Characteristics) [°C]

Comment (Electrochem- -1.2 V; Product: /BRN= 605272/. No. of transm. electrons: 4. Method: cyclovoltammetry ical Characteristics) Product

N-isopropylhydroxyamine

Theodoridou, E.; Jannakoudakis, A.D.; Jannakoudakis, D.; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 134; (1983); p. 227 - 242, View in Reaxys 7 of 13

Description (Electrochemical Characteristics)

redox potential

Solvent (Electrochemical Characteristics)

acetonitrile; methanol

pH-Value (Electrochemi- 6.11 cal Characteristics) Temperature (Electrochemical Characteristics) [°C]

Comment (Electrochem- -1.22 V; Product: /BRN= 605272/. No. of transm. electrons: 4. Method: cyclovoltammetry ical Characteristics) Product

N-isopropylhydroxyamine

Theodoridou, E.; Jannakoudakis, A.D.; Jannakoudakis, D.; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 134; (1983); p. 227 - 242, View in Reaxys 8 of 13

Description (Electrochemical Characteristics)

redox potential

Solvent (Electrochemical Characteristics)

acetonitrile; methanol

pH-Value (Electrochemi- 7.12 cal Characteristics) Temperature (Electrochemical Characteristics) [°C]

Comment (Electrochem- -1.22 V; Product: /BRN= 605272/. No. of transm. electrons: 4. Method: cyclovoltammetry ical Characteristics) Product

N-isopropylhydroxyamine

Theodoridou, E.; Jannakoudakis, A.D.; Jannakoudakis, D.; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 134; (1983); p. 227 - 242, View in Reaxys 9 of 13

Description (Electrochemical Characteristics)

redox potential

Solvent (Electrochemical Characteristics)

acetonitrile; methanol

pH-Value (Electrochemi- 8.15 cal Characteristics) Temperature (Electrochemical Characteristics) [°C]

Comment (Electrochem- -1.23 V; Product: /BRN= 605272/. No. of transm. electrons: 4. Method: cyclovoltammetry ical Characteristics)

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Product

N-isopropylhydroxyamine

Theodoridou, E.; Jannakoudakis, A.D.; Jannakoudakis, D.; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 134; (1983); p. 227 - 242, View in Reaxys 10 of 13

Description (Electrochemical Characteristics)

redox potential

Solvent (Electrochemical Characteristics)

acetonitrile; methanol

pH-Value (Electrochemi- 9.1 cal Characteristics) Temperature (Electrochemical Characteristics) [°C]

Comment (Electrochem- -1.24 V; Product: /BRN= 605272/. No. of transm. electrons: 4. Method: cyclovoltammetry ical Characteristics) Product

N-isopropylhydroxyamine

Theodoridou, E.; Jannakoudakis, A.D.; Jannakoudakis, D.; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 134; (1983); p. 227 - 242, View in Reaxys 11 of 13

Description (Electrochemical Characteristics)

redox potential

Solvent (Electrochemical Characteristics)

acetonitrile; methanol

pH-Value (Electrochemi- 10.05 cal Characteristics) Temperature (Electrochemical Characteristics) [°C]

Comment (Electrochem- -1.23 V; Product: /BRN= 605272/. No. of transm. electrons: 4. Method: cyclovoltammetry ical Characteristics) Product

N-isopropylhydroxyamine

Theodoridou, E.; Jannakoudakis, A.D.; Jannakoudakis, D.; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 134; (1983); p. 227 - 242, View in Reaxys 12 of 13

Description (Electrochemical Characteristics)

polarographic half-wave potential

Bauer; Wendt; Journal of Electroanalytical Chemistry and Interfacial Electrochemistry; vol. 80; (1977); p. 395, View in Reaxys 13 of 13

Description (Electrochemical Characteristics)

polarographic current/voltage curve

Stewart; Bonner; Analytical Chemistry; vol. 22; (1950); p. 793, View in Reaxys; Radin; De Vries; Analytical Chemistry; vol. 24; (1952); p. 971, View in Reaxys; Kelley et al.; Analytical Chemistry; vol. 31; (1959); p. 1475,1484, View in Reaxys; Bergman; James; Transactions of the Faraday Society; vol. 48; (1952); p. 956,960; Transactions of the Faraday Society; vol. 50; (1954); p. 60,63, View in Reaxys Electron Binding (1) Description (Elec- References tron Binding) Electron affinity

Cumming et al.; Canadian Journal of Chemistry; vol. 55; (1977); p. 3474,3477, View in Reaxys

Energy Data (MCS) (8) 1 of 8

Description (Energy Data (MCS))

Excess thermochemical parameter

Temperature (Energy Data (MCS)) [°C]

25 - 45

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Partner (Energy Data (MCS))

cyclohexane

Marsh, Kenneth N.; Allan, Warren A.; Richards, Alan E.; Journal of Chemical Thermodynamics; vol. 16; nb. 12; (1984); p. 1107 - 1120, View in Reaxys 2 of 8

Description (Energy Data (MCS))

Excess thermochemical parameter

Temperature (Energy Data (MCS)) [°C]

25 - 45

Partner (Energy Data (MCS))

tetrachloromethane

Marsh, Kenneth N.; Allan, Warren A.; Richards, Alan E.; Journal of Chemical Thermodynamics; vol. 16; nb. 12; (1984); p. 1107 - 1120, View in Reaxys 3 of 8

Description (Energy Data (MCS))

Excess thermochemical parameter

Temperature (Energy Data (MCS)) [°C]

Partner (Energy Data (MCS))

benzene

Marsh, Kenneth N.; Allan, Warren A.; Richards, Alan E.; Journal of Chemical Thermodynamics; vol. 16; nb. 12; (1984); p. 1107 - 1120, View in Reaxys 4 of 8

Description (Energy Data (MCS))

Excess thermochemical parameter

Temperature (Energy Data (MCS)) [°C]

Partner (Energy Data (MCS))

hexane

Marsh, Kenneth N.; Allan, Warren A.; Richards, Alan E.; Journal of Chemical Thermodynamics; vol. 16; nb. 12; (1984); p. 1107 - 1120, View in Reaxys 5 of 8

Description (Energy Data (MCS))

Excess thermochemical parameter

Temperature (Energy Data (MCS)) [°C]

Partner (Energy Data (MCS))

2,3-dimethylbutane

Marsh, Kenneth N.; Allan, Warren A.; Richards, Alan E.; Journal of Chemical Thermodynamics; vol. 16; nb. 12; (1984); p. 1107 - 1120, View in Reaxys 6 of 8

Description (Energy Data (MCS))

Excess thermochemical parameter

Temperature (Energy Data (MCS)) [°C]

Partner (Energy Data (MCS))

cetane

Marsh, Kenneth N.; Allan, Warren A.; Richards, Alan E.; Journal of Chemical Thermodynamics; vol. 16; nb. 12; (1984); p. 1107 - 1120, View in Reaxys 7 of 8

Description (Energy Data (MCS))

Excess thermochemical parameter

Marsh et al.; Journal of Chemical Thermodynamics; vol. 11; (1979); p. 897,899 - 901, View in Reaxys; Clever; Hsu; Journal of Chemical Thermodynamics; vol. 10; (1978); p. 213,214, 216 - 218, View in Reaxys; Hsu; Clever; Journal of Chemical and Engineering Data; vol. 20; (1975); p. 268,269 - 271, View in Reaxys; Derrick; Clever; Journal of Physical Chemistry; vol. 75; (1971); p. 3728, View in Reaxys 8 of 8

Description (Energy Data (MCS))

Thermodynamic properties of system with

Clever et al.; Journal of Chemical and Engineering Data; vol. 17; (1972); p. 31,33, View in Reaxys

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Enthalpies of Other Phase Transitions (1) Enthalpies of Oth- Comment (EnReferences er Phase Transi- thalpies of Other tions [Jmol-1] Phase Transitions) 10004

From solid to fluid Lushnikov, V. N.; Rubtsov, Yu. I.; Eremenko, L. T.; Korolev, A. M.; Russian Journal of Physical Chemistry; vol. 62; nb. 5; (1988); p. 612 - 615; Zhurnal Fizicheskoi Khimii; vol. 62; (1988); p. 1209 - 1214, View in Reaxys

Enthalpy of Vaporization (1) Enthalpy of VaTemperature (Enporization thalpy of Vapori[Jmol-1] zation) [°C] 41030.6

24.85

References

Miroshnichenko; Vorob'eva; Russian Journal of Physical Chemistry A; vol. 73; nb. 3; (1999); p. 349 - 355, View in Reaxys

Further Information (44) Description (Fur- References ther Information) Further information

Newcombe; Norris; Australian Journal of Chemistry; vol. 31; (1978); p. 2463,2471, 2472, 2476 ??, View in Reaxys

Further information

Freeman,D.J. et al.; Australian Journal of Chemistry; vol. 31; (1978); p. 2477 - 2490, View in Reaxys

Further information

Chizhov et al.; Organic Mass Spectrometry; vol. 13; (1978); p. 611,612, View in Reaxys

Further information

Gibson; Canadian Journal of Chemistry; vol. 55; (1977); p. 2637,2638, View in Reaxys

Further information

Bowman,W.R.; Richardson,G.D.; Tetrahedron Letters; (1977); p. 4519 - 4520, View in Reaxys

Further information

Freeman; Norris; Australian Journal of Chemistry; vol. 29; (1976); p. 2631,2640, View in Reaxys

Further information

Norris; Randles; Australian Journal of Chemistry; vol. 29; (1976); p. 2621,2627, 2628, 2629, View in Reaxys

Further information

Levine; Bethea; Journal of Chemical Physics; vol. 63; (1975); p. 2666,2675, View in Reaxys

Further information

Davies; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1974); p. 1018,1019-1025, View in Reaxys

Further information

Vsetecka; Exner; Collection of Czechoslovak Chemical Communications; vol. 39; (1974); p. 1140,1143, 1147, View in Reaxys

Further information

Lorberth; Lange; Journal of Organometallic Chemistry; vol. 54; (1973); p. 165,167, 170, View in Reaxys

Further information

Exner; Vsetecka; Tetrahedron Letters; (1972); p. 4613, View in Reaxys

Further information

Mallan et al.; Journal of Chemical and Engineering Data; vol. 17; (1972); p. 412,414, View in Reaxys

Further information

Witanowski; Shevelev; Journal of Molecular Spectroscopy; vol. 33; (1970); p. 19,20, View in Reaxys

Further information

Fukuyama,M. et al.; Journal of the American Chemical Society; vol. 92; (1970); p. 4689 - 4699, View in Reaxys

Further information

Chandra; Nath; Journal of Chemical Physics; vol. 51; (1969); p. 5299, View in Reaxys

Further information

Brookes; Jonathan; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 25; (1969); p. 187,188, View in Reaxys

Further information

Dewar et al.; Journal of the American Chemical Society; vol. 91; (1969); p. 3590, View in Reaxys

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Further information

Sasaki et al.; Chemical and Pharmaceutical Bulletin; vol. 16; (1968); p. 2120, View in Reaxys

Further information

El'cov; Ginesina; Zhurnal Organicheskoi Khimii; vol. 3; (1967); p. 191,184, View in Reaxys

Further information

Kuntz; Johnston; Journal of the American Chemical Society; vol. 89; (1967); p. 6008,6010, View in Reaxys

Further information

Griffith et al.; Journal of the Chemical Society [Section] B: Physical Organic; (1967); p. 533, View in Reaxys

Further information

Russell; Danen; Journal of the American Chemical Society; vol. 88; (1966); p. 5663, View in Reaxys

Further information

Geiseler et al.; Berichte der Bunsen-Gesellschaft; vol. 70; (1966); p. 918, View in Reaxys

Further information

Griswold; Starcher; Journal of Organic Chemistry; vol. 30; (1965); p. 1687,1690, View in Reaxys

Further information

Armand; Bulletin de la Societe Chimique de France; (1965); p. 3246,3253, View in Reaxys

Further information

Witanowski et al.; Journal of the American Chemical Society; vol. 86; (1964); p. 2569,2570, View in Reaxys

Further information

Geiseler; Kessler; Tetrahedron, Supplement; vol. 6; (1964); p. 187,188, View in Reaxys

Further information

Isaguljanz; Markosjan; J. Appl. Chem. USSR (Engl. Transl.); vol. 37; (1964); p. 1145,1146, View in Reaxys

Further information

Isaguljanz; Poredda; J. Appl. Chem. USSR (Engl. Transl.); vol. 37; (1964); p. 1093,1092, View in Reaxys

Further information

Feuer,H. et al.; Spectrochimica Acta; vol. 19; (1963); p. 431 - 434, View in Reaxys

Further information

Ungnade; Kissinger; Tetrahedron, Supplement; vol. 4; (1963); p. 121,122, View in Reaxys

Further information

Kornblum; Pink; Tetrahedron, Supplement; vol. 4; (1963); p. 17,19, View in Reaxys

Further information

Kornblum,N.; Brown,R.A.; Journal of the American Chemical Society; vol. 85; (1963); p. 1359 - 1360, View in Reaxys

Further information

Mukaiyama; Nambu; Journal of Organic Chemistry; vol. 27; (1962); p. 2201,2204, View in Reaxys

Further information

Watanabe et al.; Journal of Quantitative Spectroscopy and Radiative Transfer; vol. 2; (1962); p. 369,377, View in Reaxys

Further information

Piette et al.; Journal of the American Chemical Society; vol. 84; (1962); p. 4212,4213, View in Reaxys

Further information

Klimowa; SaGrodina; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); (1961); p. 160; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; (1961); p. 176, View in Reaxys

Further information

Souchay; Armand; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 253; (1961); p. 460, View in Reaxys

Further information

Jonathan; Journal of Molecular Spectroscopy; vol. 7; (1961); p. 105,108, View in Reaxys

Further information

Kornblum,N. et al.; Journal of the American Chemical Society; vol. 83; (1961); p. 2779 - 2780, View in Reaxys

Further information

Balasubramanian; Rao; Chemistry and Industry (London, United Kingdom); (1960); p. 1025, View in Reaxys

Further information

Altshuller; Cohen; Analytical Chemistry; vol. 32; (1960); p. 881, View in Reaxys

Heat Capacity Cp (3)

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Heat Capacity Cp [Jmol-1K-1]

Temperature (Heat Capacity Cp) [°C]

References

5.62

-259.1

167

-81.7

191.37

26.9

Heat Capacity Cp0 (3) Heat Capacity Temperature Cp0 [Jmol-1K-1] (Heat Capacity Cp0) [°C]

References

5.65

-259.2

109.4

190.8

191.1

Interatomic Distances and Angles (1) Description References Interatomic distances and angles

Ionization Potential (1) References Gibson; Canadian Journal of Chemistry; vol. 55; (1977); p. 2637,2638, View in Reaxys; Watanabe et al.; Journal of Quantitative Spectroscopy and Radiative Transfer; vol. 2; (1962); p. 369,377, View in Reaxys; Dewar et al.; Journal of the American Chemical Society; vol. 91; (1969); p. 3590, View in Reaxys Liquid/Liquid Systems (MCS) (3) 1 of 3

Description (Liquid/ Liquid Systems (MCS))

Distribution between solvent 1 + 2

Partner (Liquid/Liquid Systems (MCS))

cetane; water

Description (Liquid/ Liquid Systems (MCS))

Distribution between solvent 1 + 2

Solvent (Liquid/Liquid Systems (MCS))

H2O

Temperature (Liquid/ Liquid Systems (MCS)) [°C]

Partner (Liquid/Liquid Systems (MCS))

oleyl alcohol

Kuehne; Bocek; Scharfenberg; Frank; European Journal of Medicinal Chemistry; vol. 16; nb. 1; (1981); p. 7 - 12, View in Reaxys 3 of 3

Description (Liquid/ Liquid Systems (MCS))

Critical solution temperature

Clever et al.; Journal of Chemical and Engineering Data; vol. 17; (1972); p. 31,33, View in Reaxys Liquid/Vapour Systems (MCS) (27)

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1 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Temperature (Liquid/ 20 Vapour Systems (MCS)) [°C] Partner (Liquid/Vapour Systems (MCS))

n-heptane

Afrashtehfar, Shapour; Cave, Genille C. B.; Canadian Journal of Chemistry; vol. 64; (1986); p. 198 - 203, View in Reaxys; Milanova, Etela; Cave, Genille C.; Canadian Journal of Chemistry; vol. 60; (1982); p. 2697 - 2706, View in Reaxys 2 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Temperature (Liquid/ 20 Vapour Systems (MCS)) [°C] Partner (Liquid/Vapour Systems (MCS))

1-heptene

Afrashtehfar, Shapour; Cave, Genille C. B.; Canadian Journal of Chemistry; vol. 64; (1986); p. 198 - 203, View in Reaxys 3 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Temperature (Liquid/ 20 Vapour Systems (MCS)) [°C] Partner (Liquid/Vapour Systems (MCS))

1,6--heptadiene

Afrashtehfar, Shapour; Cave, Genille C. B.; Canadian Journal of Chemistry; vol. 64; (1986); p. 198 - 203, View in Reaxys 4 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Temperature (Liquid/ 20 Vapour Systems (MCS)) [°C] Partner (Liquid/Vapour Systems (MCS))

benzene

Milanova, Etela; Cave, Genille C.; Canadian Journal of Chemistry; vol. 60; (1982); p. 2697 - 2706, View in Reaxys 5 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Temperature (Liquid/ 20 Vapour Systems (MCS)) [°C] Partner (Liquid/Vapour Systems (MCS))

tetrachloromethane

Milanova, Etela; Cave, Genille C.; Canadian Journal of Chemistry; vol. 60; (1982); p. 2697 - 2706, View in Reaxys 6 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Partner (Liquid/Vapour Systems (MCS))

tetrachloromethane

Thomas, Eugene R.; Newman, Bruce A.; Long, Thomas C.; Wood, Douglas A.; Eckert, Charles A.; Journal of Chemical & Engineering Data; vol. 27; nb. 4; (1982); p. 399 - 405, View in Reaxys 7 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Partner (Liquid/Vapour Systems (MCS))

chloroform

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Thomas, Eugene R.; Newman, Bruce A.; Long, Thomas C.; Wood, Douglas A.; Eckert, Charles A.; Journal of Chemical & Engineering Data; vol. 27; nb. 4; (1982); p. 399 - 405, View in Reaxys 8 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Partner (Liquid/Vapour Systems (MCS))

dichloromethane

Thomas, Eugene R.; Newman, Bruce A.; Long, Thomas C.; Wood, Douglas A.; Eckert, Charles A.; Journal of Chemical & Engineering Data; vol. 27; nb. 4; (1982); p. 399 - 405, View in Reaxys 9 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Partner (Liquid/Vapour Systems (MCS))

methyl iodide

Thomas, Eugene R.; Newman, Bruce A.; Long, Thomas C.; Wood, Douglas A.; Eckert, Charles A.; Journal of Chemical & Engineering Data; vol. 27; nb. 4; (1982); p. 399 - 405, View in Reaxys 10 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Partner (Liquid/Vapour Systems (MCS))

methanol

Thomas, Eugene R.; Newman, Bruce A.; Long, Thomas C.; Wood, Douglas A.; Eckert, Charles A.; Journal of Chemical & Engineering Data; vol. 27; nb. 4; (1982); p. 399 - 405, View in Reaxys 11 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Partner (Liquid/Vapour Systems (MCS))

ethyl bromide

Thomas, Eugene R.; Newman, Bruce A.; Long, Thomas C.; Wood, Douglas A.; Eckert, Charles A.; Journal of Chemical & Engineering Data; vol. 27; nb. 4; (1982); p. 399 - 405, View in Reaxys 12 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Partner (Liquid/Vapour Systems (MCS))

ethyl iodide

Thomas, Eugene R.; Newman, Bruce A.; Long, Thomas C.; Wood, Douglas A.; Eckert, Charles A.; Journal of Chemical & Engineering Data; vol. 27; nb. 4; (1982); p. 399 - 405, View in Reaxys 13 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Partner (Liquid/Vapour Systems (MCS))

ethanol

Thomas, Eugene R.; Newman, Bruce A.; Long, Thomas C.; Wood, Douglas A.; Eckert, Charles A.; Journal of Chemical & Engineering Data; vol. 27; nb. 4; (1982); p. 399 - 405, View in Reaxys 14 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Partner (Liquid/Vapour Systems (MCS))

1-Chloropropane

Thomas, Eugene R.; Newman, Bruce A.; Long, Thomas C.; Wood, Douglas A.; Eckert, Charles A.; Journal of Chemical & Engineering Data; vol. 27; nb. 4; (1982); p. 399 - 405, View in Reaxys 15 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Partner (Liquid/Vapour Systems (MCS))

isoprene

Thomas, Eugene R.; Newman, Bruce A.; Long, Thomas C.; Wood, Douglas A.; Eckert, Charles A.; Journal of Chemical & Engineering Data; vol. 27; nb. 4; (1982); p. 399 - 405, View in Reaxys 16 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS))

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Partner (Liquid/Vapour Systems (MCS))

1-penten

Thomas, Eugene R.; Newman, Bruce A.; Long, Thomas C.; Wood, Douglas A.; Eckert, Charles A.; Journal of Chemical & Engineering Data; vol. 27; nb. 4; (1982); p. 399 - 405, View in Reaxys 17 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Partner (Liquid/Vapour Systems (MCS))

2-methyl-but-2-ene

Thomas, Eugene R.; Newman, Bruce A.; Long, Thomas C.; Wood, Douglas A.; Eckert, Charles A.; Journal of Chemical & Engineering Data; vol. 27; nb. 4; (1982); p. 399 - 405, View in Reaxys 18 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Partner (Liquid/Vapour Systems (MCS))

pentane

Thomas, Eugene R.; Newman, Bruce A.; Long, Thomas C.; Wood, Douglas A.; Eckert, Charles A.; Journal of Chemical & Engineering Data; vol. 27; nb. 4; (1982); p. 399 - 405, View in Reaxys 19 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Partner (Liquid/Vapour Systems (MCS))

cyclohexane

Thomas, Eugene R.; Newman, Bruce A.; Long, Thomas C.; Wood, Douglas A.; Eckert, Charles A.; Journal of Chemical & Engineering Data; vol. 27; nb. 4; (1982); p. 399 - 405, View in Reaxys 20 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Partner (Liquid/Vapour Systems (MCS))

hexane

Thomas, Eugene R.; Newman, Bruce A.; Long, Thomas C.; Wood, Douglas A.; Eckert, Charles A.; Journal of Chemical & Engineering Data; vol. 27; nb. 4; (1982); p. 399 - 405, View in Reaxys 21 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Partner (Liquid/Vapour Systems (MCS))

methyl cyclohexane

Thomas, Eugene R.; Newman, Bruce A.; Long, Thomas C.; Wood, Douglas A.; Eckert, Charles A.; Journal of Chemical & Engineering Data; vol. 27; nb. 4; (1982); p. 399 - 405, View in Reaxys 22 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Partner (Liquid/Vapour Systems (MCS))

n-heptane

Thomas, Eugene R.; Newman, Bruce A.; Long, Thomas C.; Wood, Douglas A.; Eckert, Charles A.; Journal of Chemical & Engineering Data; vol. 27; nb. 4; (1982); p. 399 - 405, View in Reaxys 23 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Temperature (Liquid/ 41.8 - 73.1 Vapour Systems (MCS)) [°C] Partner (Liquid/Vapour Systems (MCS))

tetrachloromethane

Thomas, Eugene R.; Newman, Bruce A.; Nicolaides, George L.; Eckert, Charles A.; Journal of Chemical & Engineering Data; vol. 27; nb. 3; (1982); p. 233 - 240, View in Reaxys 24 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS))

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Temperature (Liquid/ 64.8 - 78.6 Vapour Systems (MCS)) [°C] Partner (Liquid/Vapour Systems (MCS))

cyclohexane

Thomas, Eugene R.; Newman, Bruce A.; Nicolaides, George L.; Eckert, Charles A.; Journal of Chemical & Engineering Data; vol. 27; nb. 3; (1982); p. 233 - 240, View in Reaxys 25 of 27

Description (Liquid/ Vapour pressure diagram for the mixture Vapour Systems (MCS)) Marsh et al.; Journal of Chemical Thermodynamics; vol. 11; (1979); p. 897,899 - 901, View in Reaxys

26 of 27

Description (Liquid/ Activity coefficients of the components in the mixture Vapour Systems (MCS)) Derrick; Clever; Journal of Physical Chemistry; vol. 75; (1971); p. 3728, View in Reaxys

27 of 27

Description (Liquid/ Critical data for mixtures Vapour Systems (MCS)) Fischer et al.; Pharmazeutische Zentralhalle; vol. 105; (1966); p. 73,74, View in Reaxys

Magnetic Susceptibility (1) Magnetic SusReferences ceptibility [10-6cm3mol-1] -45.7

Baddar; Sugden; Journal of the Chemical Society; (1950); p. 308,311, View in Reaxys

Mechanical & Physical Properties (MCS) (6) 1 of 6

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechanical & Physical Properties (MCS)) [°C]

25 - 45

Partner (Mechanical & Physical Properties (MCS))

cyclohexane

Marsh, Kenneth N.; Allan, Warren A.; Richards, Alan E.; Journal of Chemical Thermodynamics; vol. 16; nb. 12; (1984); p. 1107 - 1120, View in Reaxys 2 of 6

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechanical & Physical Properties (MCS)) [°C]

25 - 45

Partner (Mechanical & Physical Properties (MCS))

tetrachloromethane

Marsh, Kenneth N.; Allan, Warren A.; Richards, Alan E.; Journal of Chemical Thermodynamics; vol. 16; nb. 12; (1984); p. 1107 - 1120, View in Reaxys 3 of 6

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechanical & Physical Properties (MCS)) [°C]

Partner (Mechanical & Physical Properties (MCS))

benzene

Marsh, Kenneth N.; Allan, Warren A.; Richards, Alan E.; Journal of Chemical Thermodynamics; vol. 16; nb. 12; (1984); p. 1107 - 1120, View in Reaxys

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4 of 6

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechanical & Physical Properties (MCS)) [°C]

Partner (Mechanical & Physical Properties (MCS))

hexane

Marsh, Kenneth N.; Allan, Warren A.; Richards, Alan E.; Journal of Chemical Thermodynamics; vol. 16; nb. 12; (1984); p. 1107 - 1120, View in Reaxys 5 of 6

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechanical & Physical Properties (MCS)) [°C]

Partner (Mechanical & Physical Properties (MCS))

2,3-dimethylbutane

Marsh, Kenneth N.; Allan, Warren A.; Richards, Alan E.; Journal of Chemical Thermodynamics; vol. 16; nb. 12; (1984); p. 1107 - 1120, View in Reaxys 6 of 6

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechanical & Physical Properties (MCS)) [°C]

Partner (Mechanical & Physical Properties (MCS))

cetane

Marsh, Kenneth N.; Allan, Warren A.; Richards, Alan E.; Journal of Chemical Thermodynamics; vol. 16; nb. 12; (1984); p. 1107 - 1120, View in Reaxys Mechanical Properties (4) Description (MeReferences chanical Properties) Molar volume

Dewan, R.K.; Sharma, A.K.; Mehta, S.K.; Journal of Solution Chemistry; vol. 17; nb. 5; (1988); p. 459 - 466, View in Reaxys

Virial coefficients of the equation of state

Marsh et al.; Journal of Chemical Thermodynamics; vol. 11; (1979); p. 897,899 - 901, View in Reaxys

Compressibility

Derrick; Clever; Journal of Physical Chemistry; vol. 75; (1971); p. 3728, View in Reaxys

Viscosity

Watanabe; Kogyo Kagaku Zasshi; vol. 72; (1969); p. 829,830, 834; Chem.Abstr.; vol. 71; nb. 54030; (1969), View in Reaxys; Chandra; Nath; Bulletin of the Chemical Society of Japan; vol. 43; (1970); p. 1614, View in Reaxys

Optics (2) Description (Optics)

References

Magnetic circular dichroism

Barth et al.; Journal of the Chemical Society, Chemical Communications; (1975); p. 672, View in Reaxys; Barth et al.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1979); p. 907,908, View in Reaxys

Rayleigh scattering

Derrick; Clever; Journal of Physical Chemistry; vol. 75; (1971); p. 3728, View in Reaxys

Other Thermochemical Data (5) Description (Oth- Comment (Other er Thermochemi- Thermochemical cal Data) Data)

References

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Enthalpy

Pivina et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 26; (1977); p. 158; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; vol. 26; (1977); p. 182, View in Reaxys; Lushnikov, V. N.; Rubtsov, Yu. I.; Eremenko, L. T.; Korolev, A. M.; Russian Journal of Physical Chemistry; vol. 62; nb. 5; (1988); p. 612 - 615; Zhurnal Fizicheskoi Khimii; vol. 62; (1988); p. 1209 - 1214, View in Reaxys

Entropy

Thermodynamic properties

Cumming; Kebarle; Journal of the American Chemical Society; vol. 100; (1978); p. 1835,1836, View in Reaxys

Heat of combustion at constant volume

bei 26.7grad: 477.8 kcal/mol.

Cass et al.; Journal of the Chemical Society; (1958); p. 958,960, View in Reaxys

Heat of combustion at constant volume

zu H2O (fluessig),CO2 (Gas) und Stickstoff (Gas) bei 25grad: 477.60+-0.17 kcal/Mol.

Holcomb; Dorsey; Industrial and Engineering Chemistry; vol. 41; (1949); p. 2788, View in Reaxys

Partition octan-1-ol/water (MCS) (3) 1 of 3

log POW

0.554

Smith; Perfetti; Garg; Hansch; Food and Chemical Toxicology; vol. 41; nb. 6; (2003); p. 807 - 817, View in Reaxys 2 of 3

Partition Constant POW

3.55

Smith; Hansch; Food and Chemical Toxicology; vol. 38; nb. 7; (2000); p. 637 - 646, View in Reaxys 3 of 3

log POW

0.55

Smith; Hansch; Food and Chemical Toxicology; vol. 38; nb. 7; (2000); p. 637 - 646, View in Reaxys Solubility (MCS) (2) 1 of 2

Saturation

in pure solvent

Comment (Solubility (MCS))

equation

Jain, Neera; Yalkowsky, Samuel H.; Journal of Pharmaceutical Sciences; vol. 90; nb. 2; (2001); p. 234 - 252, View in Reaxys 2 of 2

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

9.99999E-02 ml solvent dissolves. 1.7 ml Substance.

Gabriel; Industrial and Engineering Chemistry; vol. 32; (1940); p. 891, View in Reaxys Solution Behaviour (MCS) (5) 1 of 5

Description (Solution Behaviour (MCS))

Solubility [Henry constant]

Temperature (Solution Behaviour (MCS)) [°C]

20 - 50

Partner (Solution Behaviour (MCS))

H2O

Dohnal; Benes; Journal of Chemical and Engineering Data; vol. 44; nb. 5; (1999); p. 1097 - 1102, View in Reaxys 2 of 5

Description (Solution Behaviour (MCS))

Mutual solubility

Temperature (Solution Behaviour (MCS)) [°C]

0 - 90.2

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Partner (Solution Behaviour (MCS))

H2O

Stephenson; Journal of Chemical and Engineering Data; vol. 37; nb. 1; (1992); p. 80 - 95, View in Reaxys 3 of 5

Description (Solution Behaviour (MCS))

Dissolving capacity

Partner (Solution Behaviour (MCS))

dinitrogen tetraoxide; N2O4

Fowler et al.; Journal of the American Chemical Society; vol. 69; (1947); p. 1638, View in Reaxys 4 of 5

Description (Solution Behaviour (MCS))

Dissolving capacity

Partner (Solution Behaviour (MCS))

cellulose ester

Ericsson; Industrial and Engineering Chemistry; vol. 35; (1943); p. 1028, View in Reaxys; Bogin; Wampner; Industrial and Engineering Chemistry; vol. 34; (1942); p. 1093, View in Reaxys 5 of 5

Description (Solution Behaviour (MCS))

Dissolving capacity

Comment (Solution Behaviour (MCS))

100 ml 2-Nitro-propan loesen 0.6 ml Wasser.

Partner (Solution Behaviour (MCS))

water

Gabriel; Industrial and Engineering Chemistry; vol. 32; (1940); p. 891, View in Reaxys Surface Tension (3) Surface Tension Temperature [g·s-2] (Surface Tension) [°C]

References

Snead; Clever; Journal of Chemical and Engineering Data; vol. 7; (1962); p. 393, View in Reaxys 21.86 - 29.08

21 - 86

Vogel; Journal of the Chemical Society; (1948); p. 1809,1811, 1813; Chem.Abstr.; (1946); p. 5066, View in Reaxys

28.07

Boyd; Copeland; Journal of the American Chemical Society; vol. 64; (1942); p. 2542, View in Reaxys

Transport Data (1) Description References (Transport Data) Thermal conductivity

Mallan et al.; Journal of Chemical and Engineering Data; vol. 17; (1972); p. 412,414, View in Reaxys

Transport Phenomena (MCS) (4) 1 of 4

Description (Transport Phenomena (MCS))

Viscosity

Temperature (Transport 20 Phenomena (MCS)) [°C] Partner (Transport Phenomena (MCS))

benzene

Yadava, Raja R.; Yadava, Sarvanand S.; Singh, Vishwa N.; Journal of Chemical & Engineering Data; vol. 33; nb. 4; (1988); p. 402 - 404, View in Reaxys 2 of 4

Description (Transport Phenomena (MCS))

Viscosity

Temperature (Transport 20 Phenomena (MCS)) [°C] Partner (Transport Phenomena (MCS))

para-xylene

Yadava, Raja R.; Yadava, Sarvanand S.; Singh, Vishwa N.; Journal of Chemical & Engineering Data; vol. 33; nb. 4; (1988); p. 402 - 404, View in Reaxys

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3 of 4

Description (Transport Phenomena (MCS))

Viscosity

Temperature (Transport 20 Phenomena (MCS)) [°C] Partner (Transport Phenomena (MCS))

1,3,5-trimethyl-benzene

Yadava, Raja R.; Yadava, Sarvanand S.; Singh, Vishwa N.; Journal of Chemical & Engineering Data; vol. 33; nb. 4; (1988); p. 402 - 404, View in Reaxys 4 of 4

Description (Transport Phenomena (MCS))

Diffusion

Evanoff; Harris; Canadian Journal of Chemistry; vol. 56; (1978); p. 574, View in Reaxys Vapour Pressure (4) Vapour Pressure Temperature (Va[Torr] pour Pressure) [°C]

Comment (Vapour Pressure)

References

Saunders; Spaull; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 28; (1961); p. 332,337, View in Reaxys; Marsh et al.; Journal of Chemical Thermodynamics; vol. 11; (1979); p. 897,899 901, View in Reaxys equation exists.

Toops; Journal of Physical Chemistry; vol. 60; (1956); p. 304, View in Reaxys

12.9

v.Schickh; Angewandte Chemie; vol. 62; (1950); p. 547,554, View in Reaxys

7.05 - 564.2

10 - 110

Holcomb; Dorsey; Industrial and Engineering Chemistry; vol. 41; (1949); p. 2788, View in Reaxys

NMR Spectroscopy (32) 1 of 32

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

400

Location

supporting information

Chatterjee, Nachiketa; Bhatt, Divya; Goswami, Avijit; Organic and Biomolecular Chemistry; vol. 13; nb. 17; (2015); p. 4828 - 4832, View in Reaxys 2 of 32

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

100

Location

supporting information

Chatterjee, Nachiketa; Bhatt, Divya; Goswami, Avijit; Organic and Biomolecular Chemistry; vol. 13; nb. 17; (2015); p. 4828 - 4832, View in Reaxys 3 of 32

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- CDCl3 scopy)

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Vongvilai, Pornrapee; Angelin, Marcus; Larsson, Rikard; Ramstroem, Olof; Angewandte Chemie - International Edition; vol. 46; nb. 6; (2007); p. 948 - 950, View in Reaxys 4 of 32

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Frequency (NMR Spectroscopy) [MHz]

400

Asghar, Basim H. M.; Crampton, Michael R.; Organic and Biomolecular Chemistry; vol. 5; nb. 10; (2007); p. 1646 - 1654, View in Reaxys 5 of 32

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

14N

Solvents (NMR Spectro- acetone scopy) Temperature (NMR Spectroscopy) [°C]

Witanowski, Michal; Biedrzycka, Zenobia; Grela, Karol; Wejroch, Krystyna; Magnetic Resonance in Chemistry; vol. 36; nb. SPEC. ISS.; (1998); p. S85-S92, View in Reaxys 6 of 32

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

14N

Solvents (NMR Spectro- cyclohexane scopy) Temperature (NMR Spectroscopy) [°C]

Witanowski, Michal; Biedrzycka, Zenobia; Grela, Karol; Wejroch, Krystyna; Magnetic Resonance in Chemistry; vol. 36; nb. SPEC. ISS.; (1998); p. S85-S92, View in Reaxys 7 of 32

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- dimethylsulfoxide scopy) Temperature (NMR Spectroscopy) [°C]

Comment (NMR Spectroscopy)

1H-1H.

Altona, Cornelis; Francke, Robert; Haan, Rudy de; Ippel, Johannes H.; Daalmans, Godefridus J.; et al.; Magnetic Resonance in Chemistry; vol. 32; nb. 11; (1994); p. 670 - 678, View in Reaxys 8 of 32

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- D2O scopy) Temperature (NMR Spectroscopy) [°C]

Comment (NMR Spectroscopy)

1H-1H.

Altona, Cornelis; Francke, Robert; Haan, Rudy de; Ippel, Johannes H.; Daalmans, Godefridus J.; et al.; Magnetic Resonance in Chemistry; vol. 32; nb. 11; (1994); p. 670 - 678, View in Reaxys

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9 of 32

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

15N

Solvents (NMR Spectro- benzene-d6 scopy) Temperature (NMR Spectroscopy) [°C]

23.9

Kupce, Eriks; Wrackmeyer, Bernd; Journal of Magnetic Resonance (1969-1992); vol. 97; nb. 3; (1992); p. 568 594, View in Reaxys 10 of 32

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- benzene-d6 scopy) Temperature (NMR Spectroscopy) [°C]

23.9

Comment (NMR Spectroscopy)

13C-15N, 1H-15N.

Kupce, Eriks; Wrackmeyer, Bernd; Journal of Magnetic Resonance (1969-1992); vol. 97; nb. 3; (1992); p. 568 594, View in Reaxys 11 of 32

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- CDCl3 scopy) Temperature (NMR Spectroscopy) [°C]

Altona, Cornelis; Ippel, Johannes H.; Hoekzema, Aldert J. A. Westra; Erkelens, Cornelis; Groesbeek, Michel; Donders, Lambertus A.; Magnetic Resonance in Chemistry; vol. 27; nb. 6; (1989); p. 564 - 576, View in Reaxys 12 of 32

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Temperature (NMR Spectroscopy) [°C]

Comment (NMR Spectroscopy)

1H-1H.

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CDCl3 scopy) ITO, Haruko; ITO, Tasuku; Chemistry Letters; (1985); p. 1251 - 1254, View in Reaxys; Bailey, William F.; Cioffi, Eugene A.; Magnetic Resonance in Chemistry; vol. 25; (1987); p. 181 - 183, View in Reaxys 14 of 32

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

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Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Bowman, W. Russ; Golding, Bernard T.; Watson, William P.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1980); p. 731 - 736, View in Reaxys; Katritzky, Alan R.; Chen, Jen-Luan; Wittmann, Dieter K.; Marson, Charles M.; Journal of Organic Chemistry; vol. 51; nb. 13; (1986); p. 2481 - 2485, View in Reaxys 15 of 32

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- CDCl3 scopy) ITO, Haruko; ITO, Tasuku; Chemistry Letters; (1985); p. 1251 - 1254, View in Reaxys 16 of 32

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

14N

Comeau, M.; Beraldin, M.-T.; Vauthier, E. C.; Fliszar, S.; Canadian Journal of Chemistry; vol. 63; (1985); p. 3226 3232, View in Reaxys 17 of 32

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

14N

Solvents (NMR Spectro- acetone scopy) Witanowski, M.; Stefaniak, L.; Lamphun, B. Na; Webb, G. A.; Organic Magnetic Resonance; vol. 16; nb. 1; (1981); p. 57 - 59, View in Reaxys 18 of 32

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

14N

Solvents (NMR Spectro- CCl4 scopy) Witanowski, M.; Stefaniak, L.; Lamphun, B. Na; Webb, G. A.; Organic Magnetic Resonance; vol. 16; nb. 1; (1981); p. 57 - 59, View in Reaxys 19 of 32

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

14N

Solvents (NMR Spectro- neat (no solvent) scopy) Witanowski, M.; Stefaniak, L.; Lamphun, B. Na; Webb, G. A.; Organic Magnetic Resonance; vol. 16; nb. 1; (1981); p. 57 - 59, View in Reaxys 20 of 32

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- ClSO2F scopy) Temperature (NMR Spectroscopy) [°C]

-60

Olah, George A.; Fung, Alexander P.; Rawdah, Tarik N.; Journal of Organic Chemistry; vol. 45; nb. 21; (1980); p. 4149 - 4153, View in Reaxys

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21 of 32

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- tetradeuteriomethanol scopy) Bowman, W. Russ; Golding, Bernard T.; Watson, William P.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1980); p. 731 - 736, View in Reaxys 22 of 32

Description (NMR Spec- NMR troscopy) Lippmaa,E.T. et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 20; (1971); p. 924 - 928; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; vol. 20; (1971); p. 1006 - 1011, View in Reaxys; Ejchart,A.; Organic Magnetic Resonance; vol. 10; (1977); p. 263, View in Reaxys; Miyajima,G.; Nishimoto,K.; Organic Magnetic Resonance; vol. 6; (1974); p. 313, View in Reaxys; Monitz; Gutowsky; Journal of Chemical Physics; vol. 38; (1963); p. 1155,1158, View in Reaxys; Nagy et al.; Bulletin des Societes Chimiques Belges; vol. 78; (1969); p. 639, View in Reaxys; Deno et al.; Journal of Organic Chemistry; vol. 31; (1966); p. 1968, View in Reaxys; Hilbers et al.; Pure and Applied Chemistry; vol. 32; (1972); p. 197,199,202, View in Reaxys; Summerhays; Maciel; Journal of the American Chemical Society; vol. 94; (1972); p. 8348, View in Reaxys; Pehk; Lippmaa; Organic Magnetic Resonance; vol. 3; (1971); p. 679,680, View in Reaxys; Wasylishen et al.; Organic Magnetic Resonance; vol. 9; (1977); p. 473, View in Reaxys; Miyajima et al.; Chemical and Pharmaceutical Bulletin; vol. 18; (1970); p. 1489,1490, View in Reaxys; Clark et al.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1978); p. 941,945, View in Reaxys; Olah; Kiovsky; Journal of the American Chemical Society; vol. 90; (1968); p. 6461, View in Reaxys; Sayo et al.; Tetrahedron; vol. 24; (1968); p. 1717, View in Reaxys; Hogeveen; Recueil des Travaux Chimiques des Pays-Bas; vol. 86; (1967); p. 1320, View in Reaxys; Alexandrou; Jannakoudakis; Tetrahedron Letters; (1968); p. 3841, View in Reaxys

23 of 32

Description (NMR Spec- Spin-spin coupling constants troscopy) Stone; Maki; Journal of Chemical Physics; vol. 37; (1962); p. 1326,1329, View in Reaxys; Wasylishen et al.; Organic Magnetic Resonance; vol. 9; (1977); p. 473, View in Reaxys

24 of 32

Description (NMR Spec- Chemical shifts troscopy) Comment (NMR Spectroscopy)

NMR chemical shifts

Moniz; Poranski; jr.; Journal of Magnetic Resonance (1969-1992); vol. 11; (1973); p. 62, View in Reaxys 25 of 32

Description (NMR Spec- Spectrum troscopy) Comment (NMR Spectroscopy)

Unters.

Sasaki; Suzuki; Chemical and Pharmaceutical Bulletin; vol. 17; (1969); p. 2049,2050, View in Reaxys 26 of 32

Description (NMR Spec- Chemical shifts troscopy) Sasaki et al.; Chemical and Pharmaceutical Bulletin; vol. 16; (1968); p. 2120, View in Reaxys

27 of 32

Description (NMR Spec- Spectrum troscopy) Comment (NMR Spectroscopy)

d. nach γ-Bestrahlung (77K) erh. Radikals

Chachaty; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques; vol. 262; (1966); p. 680, View in Reaxys 28 of 32

Description (NMR Spec- Spectrum troscopy) Witanowski et al.; Journal of the American Chemical Society; vol. 86; (1964); p. 2569,2570, View in Reaxys

29 of 32

Description (NMR Spec- Spectrum troscopy)

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Comment (NMR Spectroscopy)

(CCl4)

Hofman et al.; Journal of the American Chemical Society; vol. 86; (1964); p. 554,555, View in Reaxys 30 of 32

Description (NMR Spec- Chemical shifts troscopy) Comment (NMR Spectroscopy)

17O

Christ et al.; Helvetica Chimica Acta; vol. 44; (1961); p. 865, View in Reaxys 31 of 32

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Lauterbur; Annals of the New York Academy of Sciences; vol. 70; (1957); p. 841,844; Journal of Chemical Physics; vol. 26; (1957); p. 217, View in Reaxys 32 of 32

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Meyer et al.; Journal of the American Chemical Society; vol. 75; (1953); p. 4567,4570, View in Reaxys IR Spectroscopy (13) 1 of 13

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat liquid

Gobin, Cedric; Marteau, Philippe; Petitet, Jean-Pierre; Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy; vol. 60; nb. 1-2; (2004); p. 329 - 336, View in Reaxys 2 of 13

Description (IR Spectroscopy)

Bands

Comment (IR Spectroscopy)

1524 cm**(-1)

Pola, Josef; Farkacova, Marta; Kubat, Pavel; Trka, Antonin; Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases; vol. 80; (1984); p. 1499 - 1506, View in Reaxys 3 of 13

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

solid

Comment (IR Spectroscopy)

3000 - 80 cm**(-1)

Durig, J. R.; Smith, J. A. Smooter; Li, Y. S.; Wasacz, F. M.; Journal of Molecular Structure; vol. 99; (1983); p. 45 60, View in Reaxys 4 of 13

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

gas

Comment (IR Spectroscopy)

3000 - 80 cm**(-1)

Durig, J. R.; Smith, J. A. Smooter; Li, Y. S.; Wasacz, F. M.; Journal of Molecular Structure; vol. 99; (1983); p. 45 60, View in Reaxys 5 of 13

Description (IR Spectroscopy)

Iogansen; Litovchenko; Journal of Applied Spectroscopy; vol. 2; (1965); p. 159; ; p. 243, View in Reaxys; Mauret et al.; Bulletin de la Societe Chimique de France; (1974); p. 379, View in Reaxys; Geiseler; Kessler; Nitro Compounds., Proc. Intern. Symp.; (1964); p. 187 - 194; Chem.Abstr.; vol. 64; nb. 1928f; (1966), View in Reaxys; Lor-

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berth et al.; Journal of Organometallic Chemistry; vol. 54; (1973); p. 177,181-182, 185, View in Reaxys; Clark et al.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1978); p. 941,945, View in Reaxys; Hogeveen; Recueil des Travaux Chimiques des Pays-Bas; vol. 86; (1967); p. 1320, View in Reaxys 6 of 13

Description (IR Spectroscopy)

Bands

Ungnade; Kissinger; Tetrahedron, Supplement; vol. 4; (1963); p. 121,122, View in Reaxys 7 of 13

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

paraffin

Comment (IR Spectroscopy)

5000 - 1000 cm**(-1); Suspension.

Urbanski; Roczniki Chemii; vol. 31; (1957); p. 37,45; Bulletin de l'Academie Polonaise des Sciences, Classe 3: Mathematique, Astronomie, Physique, Chimie, Geologie et Geographie; vol. 4; (1956); p. 381; Chem.Abstr.; (1957); p. 12659, View in Reaxys 8 of 13

Description (IR Spectroscopy)

Spectrum

Comment (IR Spectroscopy)

5000 - 667 cm**(-1); im Dampf.

Pierson et al.; Analytical Chemistry; vol. 28; (1956); p. 1218,1222; A. P. I. Res. Project; vol. 44; nb. 1220; (1951), View in Reaxys 9 of 13

Description (IR Spectroscopy)

Bands

Comment (IR Spectroscopy)

NO2-Streckschwingungsbanden der Fluessigkeit.

Haszeldine; Journal of the Chemical Society; (1953); p. 2525, View in Reaxys; Kornblum et al.; Journal of Organic Chemistry; vol. 21; (1956); p. 377, View in Reaxys 10 of 13

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CHCl3

Comment (IR Spectroscopy)

NO2-Streckschwingungsbanden.

Brown; Journal of the American Chemical Society; vol. 77; (1955); p. 6341,6344, View in Reaxys 11 of 13

Description (IR Spectroscopy)

Spectrum

Comment (IR Spectroscopy)

5000 - 455 cm**(-1); im Dampf.

Smith et al.; Journal of Chemical Physics; vol. 18; (1950); p. 706,707,712, View in Reaxys 12 of 13

Description (IR Spectroscopy)

Spectrum

Comment (IR Spectroscopy)

5000 - 667 cm**(-1); fluess..

Smith et al.; Journal of Chemical Physics; vol. 18; (1950); p. 706,707,712, View in Reaxys; A.P.I.Res.Projekt 44 Nr. 733<1948>,1754<1956>, View in Reaxys 13 of 13

Description (IR Spectroscopy)

Spectrum

Comment (IR Spectroscopy)

10000 - 667 cm**(-1)

Nielsen; Smith; Industrial and Engineering Chemistry, Analytical Edition; vol. 15; (1943); p. 610, View in Reaxys Mass Spectrometry (6)

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Description (Mass Location Spectrometry)

Comment (Mass Spectrometry)

References

gas chromatogra- supporting inforphy mass specmation trometry (GCMS); spectrum

Chatterjee, Nachiketa; Bhatt, Divya; Goswami, Avijit; Organic and Biomolecular Chemistry; vol. 13; nb. 17; (2015); p. 4828 - 4832, View in Reaxys

spectrum; chemical ionization (CI)

Kadentsev; Kolotyrkina; Stomakhin; Chizhov; Shevelev; Russian Chemical Bulletin; vol. 46; nb. 6; (1997); p. 1184 - 1185, View in Reaxys

fragmentation pattern; spectrum

Wodtke, A. M.; Hintsa, E. J.; Lee, Y. T.; Journal of Physical Chemistry; vol. 90; nb. 16; (1986); p. 3549 - 3558, View in Reaxys Prokof'ew et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); (1966); p. 1060; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; (1966); p. 1105, View in Reaxys; Chizhov et al.; Organic Mass Spectrometry; vol. 13; (1978); p. 611,612, View in Reaxys; Tsuda et al.; Bulletin of the Chemical Society of Japan; vol. 42; (1969); p. 614, View in Reaxys

fragmentation pattern

Elektronenstoss

Collin; Bulletin de la Societe Royale des Sciences de Liege; vol. 23; (1954); p. 194 - 196, View in Reaxys

appearance potentials

positiver Ionen bei Fragmentierung durch Elektronenstoss.

Collin; Bulletin de la Societe Royale des Sciences de Liege; vol. 23; (1954); p. 194 - 196, View in Reaxys

UV/VIS Spectroscopy (9) 1 of 9

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

water

Location

supporting information

Absorption Maxima (UV/ 275 VIS) [nm] Ext./Abs. Coefficient [l·mol-1cm-1]

19.5

Li, Zhao; Cheng, Jin-Pei; Parker, Vernon D.; Organic and Biomolecular Chemistry; vol. 9; nb. 12; (2011); p. 4563 4569, View in Reaxys 2 of 9

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

acetonitrile

Zhang, Yi-Xue; Bauer; Journal of Physical Chemistry A; vol. 104; nb. 6; (2000); p. 1207 - 1216, View in Reaxys 3 of 9

Description (UV/VIS Spectroscopy)

UV/VIS

Gast; Estes; Analytical Chemistry; vol. 32; (1960); p. 1712, View in Reaxys; Balasubramanian; Rao; Spectrochimica Acta; vol. 18; (1962); p. 1337; Chem.Abstr.; vol. 55; nb. 3419; (1961), View in Reaxys; Barth et al.; Journal of the Chemical Society, Chemical Communications; (1975); p. 672, View in Reaxys; Barth et al.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1979); p. 907,908, View in Reaxys; Belikov et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 20; (1971); p. 272,275; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; vol. 20; (1971); p. 335, View in Reaxys; Chaldna et al.; Reaktsionnaya Sposobnost Organicheskikh Soedinenii; vol. 2; nb. 4; (1965); p. 91,94, View in Reaxys 4 of 9

Description (UV/VIS Spectroscopy)

Spectrum

Bordwell,F.G.; Yee,K.C.; Journal of the American Chemical Society; vol. 92; (1970); p. 5939 - 5944, View in Reaxys; Williams et al.; Journal of Organic Chemistry; vol. 30; (1965); p. 2674,2675, View in Reaxys 5 of 9

Description (UV/VIS Spectroscopy)

Absorption maxima

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Bayliss; Wills-Johnson; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 24; (1968); p. 551,553, View in Reaxys 6 of 9

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

ethanol

Ungnade; Smiley; Journal of Organic Chemistry; vol. 21; (1956); p. 993, View in Reaxys; Urbanski; Ciecierska; Roczniki Chemii; vol. 29; (1955); p. 11,14,15; Chem.Abstr.; (1955); p. 11414, View in Reaxys; Urbanski; Tetrahedron; vol. 6; (1959); p. 1,5; Roczniki Chemii; vol. 33; (1959); p. 635,637, 638; Chem.Abstr.; (1960); p. 250, View in Reaxys 7 of 9

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

aq. methanol (80percent)

Comment (UV/VIS Spectroscopy)

des Anions.

Absorption Maxima (UV/ 227 VIS) [nm] Hawthorne; Journal of the American Chemical Society; vol. 79; (1957); p. 2510,2512, View in Reaxys 8 of 9

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

light petroleum

Haszeldine; Jander; Journal of the Chemical Society; (1954); p. 691,692, View in Reaxys 9 of 9

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

ethanol

Comment (UV/VIS Spectroscopy)

neutrale und alkalische Loesungen.

Zelinski; Rosanoff; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 78; (1912); p. 633, View in Reaxys; Hantzsch; Voigt; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 79; (1912); p. 593, View in Reaxys ESR Spectroscopy (2) 1 of 2

Description (ESR Spectroscopy)

ESR

Ludwig et al.; Journal of the American Chemical Society; vol. 86; (1964); p. 4568,4571, View in Reaxys; Chachaty; Rosilio; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 64; (1967); p. 777,780,783,785-788, View in Reaxys; Chachaty; Forchioni; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 65; (1968); p. 1649,1657, View in Reaxys; Chapelet-Letourneux et al.; Bulletin de la Societe Chimique de France; (1968); p. 3963, View in Reaxys 2 of 2

Description (ESR Spectroscopy)

Spectrum

Prokof'ew et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); (1966); p. 1060; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; (1966); p. 1105, View in Reaxys; Trofimov; Chkheidze; High Energy Chemistry; vol. 1; (1967); p. 409, View in Reaxys; Piette et al.; Journal of the American Chemical Society; vol. 84; (1962); p. 4212,4213, View in Reaxys Rotational Spectroscopy (1) Description (Rota- References tional Spectroscopy) Microwave spectrum

Durig, J. R.; Smith, J. A. Smooter; Li, Y. S.; Wasacz, F. M.; Journal of Molecular Structure; vol. 99; (1983); p. 45 - 60, View in Reaxys

Raman Spectroscopy (6) Description (Ram- Comment (Raman Spectroscopy) an Spectroscopy)

References

42/76

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Spectrum

neat (no solvent)

Durig, J. R.; Smith, J. A. Smooter; Li, Y. S.; Wasacz, F. M.; Journal of Molecular Structure; vol. 99; (1983); p. 45 - 60, View in Reaxys

Spectrum

neat (no solvent, gas phase)

Durig, J. R.; Smith, J. A. Smooter; Li, Y. S.; Wasacz, F. M.; Journal of Molecular Structure; vol. 99; (1983); p. 45 - 60, View in Reaxys

Spectrum

neat (no solvent, solid phase)

Durig, J. R.; Smith, J. A. Smooter; Li, Y. S.; Wasacz, F. M.; Journal of Molecular Structure; vol. 99; (1983); p. 45 - 60, View in Reaxys

Degree of depolarization of Raman bands

Durig, J. R.; Smith, J. A. Smooter; Li, Y. S.; Wasacz, F. M.; Journal of Molecular Structure; vol. 99; (1983); p. 45 - 60, View in Reaxys

Spectrum

Pendl; Reitz; Sabathy; Proceedings - Indian Academy of Sciences, Section A; vol. 8; (1938); p. 511; Chem. Zentralbl.; vol. 110; nb. II; (1939); p. 1855, View in Reaxys; Wittek; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 51; (1941); p. 189, View in Reaxys; Geiseler; Kessler; Tetrahedron, Supplement; vol. 6; (1964); p. 187,188, View in Reaxys

Spectrum

der Fluessigkeit

Fluorescence Spectroscopy (1) Description (Fluo- Comment (Fluorescence Specrescence Spectroscopy) troscopy) Spectrum

400 - 620 nm

Smith et al.; Journal of Chemical Physics; vol. 18; (1950); p. 706,707,712, View in Reaxys References

Butler, L. J.; Krajnovich, D.; Lee, Y. T.; Ondrey, G.; Bersohn, R.; Journal of Chemical Physics; vol. 79; nb. 4; (1983); p. 1708 - 1722, View in Reaxys

Pharmacological Data (34) 1 of 34

Comment (Pharmacological Data)

Bioactivities present

Bapat,J.B.; Black,D.S.C.; Australian Journal of Chemistry; vol. 21; (1968); p. 2483 - 2495, View in Reaxys; Phillip,A.T.; Australian Journal of Chemistry; vol. 21; (1968); p. 2797 - 2800, View in Reaxys; Patent; SUMITOMO CHEMICAL COMPANY, LIMITED; EP253365; (1988); (A2) English, View in Reaxys; Black,D.S.C.; Watson,K.G.; Australian Journal of Chemistry; vol. 26; (1973); p. 2159 - 2176, View in Reaxys; Black,D.S.C.; Boscacci,A.B.; Australian Journal of Chemistry; vol. 29; (1976); p. 2561 - 2566, View in Reaxys; Norris,R.K.; Randles,D.; Australian Journal of Chemistry; vol. 29; (1976); p. 2621 - 2629, View in Reaxys; Freeman,D.J.; Norris,R.K.; Australian Journal of Chemistry; vol. 29; (1976); p. 2631 - 2642, View in Reaxys; Freeman,D.J. et al.; Australian Journal of Chemistry; vol. 31; (1978); p. 2477 - 2490, View in Reaxys; Patent; ZAMBON GROUP S.p.A.; EP333938; (1989); (A1) English, View in Reaxys; Norris,R.K.; Randles,D.; Australian Journal of Chemistry; vol. 32; (1979); p. 2413 2422, View in Reaxys; Troxler,F.; Helvetica Chimica Acta; vol. 51; (1968); p. 1214 - 1224, View in Reaxys; Henning,R. et al.; Helvetica Chimica Acta; vol. 59; (1976); p. 2213 - 2217, View in Reaxys; Patent; ELI LILLY AND COMPANY; EP764640; (1997); (A1) English, View in Reaxys; Klager,K.; Monatshefte fuer Chemie; vol. 96; (1965); p. 1 - 8, View in Reaxys; Tsuji,T.; Ueda,T.; Chemical and Pharmaceutical Bulletin; vol. 12; (1964); p. 946 - 950, View in Reaxys; Patent; The Goodyear Tire and Rubber Company; US3989738; (1976); (A1) English, View in Reaxys; Patent; IMC Chemical Group, Inc.; US4066433; (1978); (A1) English, View in Reaxys; Patent; Nicholas International Limited; US4073798; (1978); (A1) English, View in Reaxys; Patent; Ciba-Geigy Corporation; US4113937; (1978); (A1) English, View in Reaxys; Dornow,A.; Mueller,A.; Chemische Berichte; vol. 93; (1960); p. 41 - 44, View in Reaxys; Patent; Mead Johnson and Company; US4234595; (1980); (A1) English, View in Reaxys; Teuber,H.J.; Glosauer,O.; Chemische Berichte; vol. 98; (1965); p. 2939 - 2953, View in Reaxys; Patent; Research Corporation; US4343942; (1982); (A1) English, View in Reaxys; Patent; E. I. Du Pont de Nemours and Company; US4370480; (1983); (A1) English, View in Reaxys; Patent; Mead Johnson and Company; US4243681; (1981); (A1) English, View in Reaxys; Patent; Tanabe Seiyaku Co., Ltd.; US4276304; (1981); (A1) English, View in Reaxys; Patent; Ciba-Geigy Corporation; US4297234; (1981); (A1) English, View in Reaxys; Bersohn,M.; Journal of the American Chemical Society; vol. 83; (1961); p. 2136 - 2138, View in Reaxys; Kornblum,N. et al.; Journal of the American Chemical Society; vol. 83; (1961); p. 2779 - 2780, View in Reaxys; Kornblum,N.; Brown,R.A.; Journal of the American Chemical Society; vol. 85; (1963); p. 1359 - 1360, View in Reaxys; Patent; SRI International; US4460591; (1984); (A1) English, View in Reaxys; Patent; Beecham Group Limited; US4478849; (1984); (A1) English, View in Reaxys; Gibson,R.N.; Crosthwaite,J.C.; Journal of the American Chemical Society; vol. 90; nb. 26; (1968); p. 7373 - 7375, View in Reaxys; Patent; Merrell Dow Pharmaceuticals Inc.; US4563465; (1986); (A1) English, View in Reaxys; Patent; Ciba-Geigy Corporation; US4564578; (1986); (A1) English, View in Reaxys; Patent; Loyola University of Chicago; US4567265; (1986); (A1) English, View in Reaxys; Patent; E. I. Du Pont de Nemours and Company; US4581178; (1986); (A1) English, View in Reaxys; Patent; Merrell Dow Pharmaceuticals Inc.; US4585866; (1986); (A1) English, View in Reaxys; Patent; Eli Lilly and Company; US4589905; (1986); (A1) English, View in Reaxys; Fukuyama,M. et al.; Journal of the American Chemical Society; vol. 92; (1970); p. 4689 - 4699, View in Reaxys; Kornblum,N. et al.; Journal of the American Chemical Society; vol. 92; nb. 19; (1970); p. 5783 - 5784, View in Reaxys; Bordwell,F.G.; Yee,K.C.; Journal of the American Chemical Society; vol. 92; (1970); p. 5933 - 5938, View in Reaxys; Bordwell,F.G.; Yee,K.C.; Journal of the American Chemical Society; vol. 92; (1970); p. 5939 - 5944, View in Reaxys; Kornblum,N. et al.; Journal of the American Chemical Society; vol. 93; (1971); p. 4316 - 4318, View in Reaxys; Patent; Eli Lilly and Company; US4631343; (1986); (A1)

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Chem.; vol. 127; nb. 05; (2015); p. 1662 - 1665,4, View in Reaxys; Zhuo, Zuoxi; Wu, Lizhi; Wang, Lei; Ding, Yichun; Zhang, Xiaoqian; Liu, Yueming; He, Mingyuan; RSC Advances; vol. 4; nb. 99; (2014); p. 55685 - 55688, View in Reaxys; Rapi, Zsolt; BakA , PA©ter; Drahos, LA szlA ; Keglevich, GyA rgy; Heteroatom Chemistry; vol. 26; nb. 1; (2015); p. 63 - 71, View in Reaxys; Stevens, Marc Y.; Wieckowski, Krzysztof; Wu, Peng; Sawant, Rajiv T.; Odell, Luke R.; Organic and Biomolecular Chemistry; vol. 13; nb. 7; (2015); p. 2044 2054, View in Reaxys; Chatterjee, Nachiketa; Bhatt, Divya; Goswami, Avijit; Organic and Biomolecular Chemistry; vol. 13; nb. 17; (2015); p. 4828 - 4832, View in Reaxys; Palmieri, Alessandro; Gabrielli, Serena; Sampaolesi, Susanna; Ballini, Roberto; RSC Advances; vol. 5; nb. 46; (2015); p. 36652 - 36655, View in Reaxys; Patent; JANSSEN RandD IRELAND; VANDYCK, Koen; HACHÉ, Geerwin Yvonne Paul; KESTELEYN, Bart Rudolf Romanie; RABOISSON, Pierre Jean-Marie Bernard; WO2015/59212; (2015); (A1) English, View in Reaxys; Ritter; Pehlken; Sorsche; Rau; Dalton Transactions; vol. 44; nb. 19; (2015); p. 8889 - 8905, View in Reaxys; Isobe, Toshihiro; Kato, Atsuki; Oriyama, Takeshi; Chemistry Letters; vol. 44; nb. 4; (2015); p. 483 - 485, View in Reaxys; Lysova; Zevatskii; Demidov; Novoselov; Russian Journal of General Chemistry; vol. 85; nb. 4; (2015); p. 781 785; Art.No: 1707, View in Reaxys; Tretyakov, Evgeny V.; Romanenko, Galina V.; Veber, Sergey L.; Fedin, Matvey V.; Polushkin, Aleksey V.; Tkacheva, Anastasia O.; Ovcharenko, Victor I.; Australian Journal of Chemistry; vol. 68; nb. 6; (2015); p. 970 - 980, View in Reaxys; Guo, Xing-Tao; Shen, Jie; Sha, Feng; Wu, Xin-Yan; Synthesis (Germany); vol. 47; nb. 14; (2015); p. 2063 - 2072; Art.No: SS-2015-H0046-OP, View in Reaxys; Mac, Yohan; Bony, Emilie; Delvaux, David; Pinto, Adan; Mathieu, Vronique; Kiss, Robert; Feron, Olivier; Quetin-Leclercq, Jolle; Riant, Olivier; Medicinal Chemistry Research; vol. 24; nb. 8; (2015); p. 3143 - 3156, View in Reaxys; Biyogo, Alex Meye; Khoumeri, Omar; Terme, Thierry; Curti, Christophe; Vanelle, Patrice; Synthesis (Germany); vol. 47; nb. 17; (2015); p. 2647 - 2653; Art.No: SS-2015-T0075-OP, View in Reaxys; Choudhary, Manoj K.; Tak, Rajkumar; Kureshy, Rukhsana I.; Ansari, Amamudin; Khan, Noor-Ul H.; Abdi, Sayed H.R.; Bajaj, Hari C.; Journal of Molecular Catalysis A: Chemical; vol. 409; (2015); p. 85 - 93; Art.No: 9596, View in Reaxys; Patent; NIMBUS LAKSHMI, INC.; MASSE, Craig E.; GREENWOOD, Jeremy Robert; ROMERO, Donna L.; HARRIMAN, Geraldine C.; WESTER, Ronald T.; SHELLEY, Mee; KENNEDY-SMITH, Joshua Jahmil; DAHLGREN, Markus; WO2015/131080; (2015); (A1) English, View in Reaxys; Dey, Chandan; Lindstedt, Erik; Olofsson, Berit; Organic Letters; vol. 17; nb. 18; (2015); p. 4554 - 4557, View in Reaxys; Patent; Shanghai Lumosa Therapeutics, Co., Ltd.; Peng, Shiqi; Zhao, Ming; Jiang, Xueyun; US2015/290339; (2015); (A1) English, View in Reaxys; Patent; HYDRA BIOSCIENCES, INC.; LIPPA, Blaise, S.; LI, Qingyi; WRONA, Iwona; JACKSON, Andrew, J.; LIU, Christopher, M.; LIANG, Guohua; BAEVSKY, Matthew, F.; EARL, Richard, Alan; MCQUEEN, Lisa; SMIT, Jared; COWANS, Brett; WU, Xinyuan; CHENARD, Bertrand, L.; WO2015/164643; (2015); (A1) English, View in Reaxys; Shimkin, Kirk W.; Gildner, Peter G.; Watson, Donald A.; Organic Letters; vol. 18; nb. 5; (2016); p. 988 - 991, View in Reaxys; Kumar Kondapi, Venkata Pavan; Soueidan, Olivier-Mohamad; Hosseini, Seyedeh Nargess; Jabari, Nauras; West, Frederick G.; European Journal of Organic Chemistry; vol. 2016; nb. 7; (2016); p. 1367 1379, View in Reaxys

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Effect (Pharmacological Data)

pharmacokinetics

Species or Test-System (Pharmacological Data)

nitroalkane oxidase of Streptomyces ansochromogenes

Type (Pharmacological Data)

Value of Type (Pharmacological Data)

83.5 mmol/l

Li, Yanhua; Gao, Zengqiang; Hou, Haifeng; Li, Lei; Zhang, Jihui; Yang, Haihua; Dong, Yuhui; Tan, Huarong; Biochemical and Biophysical Research Communications; vol. 405; nb. 3; (2011); p. 344 - 348, View in Reaxys 3 of 34

Effect (Pharmacological Data)

mutagenic (microorganism)

Species or Test-System (Pharmacological Data)

Escherichia coli IC203

Concentration (Pharmacological Data)

4000 μg/plate

Kind of Dosing (Pharmacological Data)

title comp. dissolved in DMSO; diluted with water

Method (Pharmacological Data)

in vitro; plate incorporation assay; Difco agar; minimal ET4 plates; 37 deg C; 2 d; number of revertants per plates counted

Further Details (Pharmacological Data)

WP2 uvrA/pKM101 bacterial strain deficient in OxyR

Results

non-oxidative mutagenesis

Martinez, Alicia; Urios, Amparo; Blanco, Manuel; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 467; nb. 1; (2000); p. 41 - 53, View in Reaxys 4 of 34

Effect (Pharmacological Data)

mutagenic (microorganism)

Species or Test-System (Pharmacological Data)

Escherichia coli IC188

Concentration (Pharmacological Data)

4000 μg/plate

Kind of Dosing (Pharmacological Data)

title comp. dissolved in DMSO; diluted with water

Method (Pharmacological Data)

in vitro; plate incorporation assay; Difco agar; minimal ET4 plates; 37 deg C; 2 d; number of revertants per plates counted

Further Details (Pharmacological Data)

parent WP2 uvrA/pKM101 bacterial strain

Results

non-oxidative mutagenesis

Martinez, Alicia; Urios, Amparo; Blanco, Manuel; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 467; nb. 1; (2000); p. 41 - 53, View in Reaxys 5 of 34

Effect (Pharmacological Data)

oxidative stress

Species or Test-System (Pharmacological Data)

human hepatoma cell HepG2

Concentration (Pharmacological Data)

1 mmol/l

Exposure Period (Pharmacological Data)

Method (Pharmacological Data)

cell preincubation with 100 μM buthionine sulfoximine for 48 h; 37 deg C; measurement of lipid peroxidation as thiobarbituric acid-reactive substances (TBARS) released into medium; DNA damage determin. as remaining dsDNA level

Further Details (Pharmacological Data)

control experiment; dsDNA = double-stranded DNA; determination of 8-hydroxy-2'-deoxyguanosine (8-OH-dGu) formation

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Results

significant increase of TBARS level; significant decrease of remaining dsDNA; no 8-OHdGu formation

Wang, Yong-Fa; Hu, Miao-Lin; Food and Chemical Toxicology; vol. 38; nb. 5; (2000); p. 451 - 458, View in Reaxys 6 of 34

Effect (Pharmacological Data)

oxidative stress

Species or Test-System (Pharmacological Data)

human hepatoma cell HepG2

Concentration (Pharmacological Data)

1 mmol/l

Exposure Period (Pharmacological Data)

Method (Pharmacological Data)

incubation at 37 deg C; measurement of lipid peroxidation as thiobarbituric acid-reactive substances (TBARS) released into medium; determination of DNA strand breakage by FADU method

Further Details (Pharmacological Data)

control experiment; FADU = fluorometric analysis of alkaline DNA unwinding; calculation of double-stranded DNA (dsDNA)

Comment (Pharmacological Data)

No effect

Wang, Yong-Fa; Hu, Miao-Lin; Food and Chemical Toxicology; vol. 38; nb. 5; (2000); p. 451 - 458, View in Reaxys 7 of 34

Effect (Pharmacological Data)

oxidative stress

Species or Test-System (Pharmacological Data)

Sprague-Dawley rat liver slices

Concentration (Pharmacological Data)

1 mmol/l

Exposure Period (Pharmacological Data)

Method (Pharmacological Data)

GSH-depleted liver slices from rats injected with DEM (i. p.); slice exposure in serum bottle; measurement of lipid peroxidation as TBARS released into medium; DNA isolation for damage determin. as 8-OH-dGU level by HPLC, DNA strand breakage by FADU

Further Details (Pharmacological Data)

37 deg C; control experiment; GSH = glutathione; TBARS = thiobarbituric acid-reactive substances; 8-OH-dGu = 8-hydroxy-2'-deoxyguanosine; FADU = fluorometric analysis of alkaline DNA unwinding

Results

significant increase of lipid peroxidation (increased TBARS level); significant DNA damage (increased 8-OH-dGu level)

Wang, Yong-Fa; Hu, Miao-Lin; Food and Chemical Toxicology; vol. 38; nb. 5; (2000); p. 451 - 458, View in Reaxys 8 of 34

Effect (Pharmacological Data)

oxidative stress

Species or Test-System (Pharmacological Data)

Sprague-Dawley rat liver slices

Concentration (Pharmacological Data)

1 mmol/l

Exposure Period (Pharmacological Data)

Method (Pharmacological Data)

exposure in serum bottle; 37 deg C; measurement of lipid peroxidation as thiobarbituric acid-reactive substances (TBARS) released into medium; DNA isolation from nuclei; DNA damage determin. as 8-OH-dGU level by HPLC, DNA strand breakage by FADU method

Further Details (Pharmacological Data)

control experiment; 8-OH-dGu = 8-hydroxy-2'-deoxyguanosine; FADU = fluorometric analysis of alkaline DNA unwinding

Results

increase of lipid peroxidation (increased TBARS level); no DNA damage (no formation of 8-OH-dGu)

Wang, Yong-Fa; Hu, Miao-Lin; Food and Chemical Toxicology; vol. 38; nb. 5; (2000); p. 451 - 458, View in Reaxys

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Effect (Pharmacological Data)

hepatotoxic

Species or Test-System (Pharmacological Data)

F344 rat

Sex

male

Route of Application

intragastric

Exposure Period (Pharmacological Data)

Method (Pharmacological Data)

blood collection; tissue examination: liver; immunohistochemical analysis; biochemical analysis

Further Details (Pharmacological Data)

exposure: six doses of 60 mg/kg or two doses of 90 mg/kg and then four doses of 120 mg/kg

Results

significant elevation of hepatotoxic indices was evident: increase of serum GOT activity and hepatic lipid peroxidation, decrease in hepatic glycogen and serum trigluceride; degenerative changes in hepatocytes

Sai; Kai; Umemura; Tanimura; Hasegawa; Inoue; Kurokawa; Food and Chemical Toxicology; vol. 36; nb. 12; (1998); p. 1043 - 1051, View in Reaxys 10 of 34

Effect (Pharmacological Data)

oxidative stress

Species or Test-System (Pharmacological Data)

F344 rat

Sex

male

Route of Application

intragastric

Exposure Period (Pharmacological Data)

Method (Pharmacological Data)

tissue examination: liver; 8-OHdG formation assay

Further Details (Pharmacological Data)

exposure: six doses of 60 mg/kg or two doses of 90 mg/kg and then four doses of 120 mg/kg

Results

dose-related significant increase in oxidative DNA damage in the liver was observed

Sai; Kai; Umemura; Tanimura; Hasegawa; Inoue; Kurokawa; Food and Chemical Toxicology; vol. 36; nb. 12; (1998); p. 1043 - 1051, View in Reaxys 11 of 34

Effect (Pharmacological Data)

cell proliferation

Species or Test-System (Pharmacological Data)

F344 rat

Sex

male

Route of Application

intragastric

Exposure Period (Pharmacological Data)

Method (Pharmacological Data)

tissue examination: liver; cell proliferation assay; BrdU incorporation

Further Details (Pharmacological Data)

exposure: six doses of 60 mg/kg or two doses of 90 mg/kg and then four doses of 120 mg/kg

Results

dose-related significant increase in labelling index of hepatocytes was observed

Sai; Kai; Umemura; Tanimura; Hasegawa; Inoue; Kurokawa; Food and Chemical Toxicology; vol. 36; nb. 12; (1998); p. 1043 - 1051, View in Reaxys 12 of 34

Effect (Pharmacological Data)

oxidative stress

Species or Test-System (Pharmacological Data)

Sprague-Dawley rat

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Sex

male

Route of Application

intraperitoneal

Concentration (Pharmacological Data)

1 - 4 mmol/kg

Kind of Dosing (Pharmacological Data)

test comp. dissolv. in olive oil

Exposure Period (Pharmacological Data)

24 h

Method (Pharmacological Data)

male rats weigh. 140 g; killed by decapitation; blood serum; liver, lung, kidney dissect.; lipid peroxidation (LPO) level; MDA, 4-HDA levels; SDH activ. in serum; protein conc.

Further Details (Pharmacological Data)

MDA: malondialdehyde; 4-HDA: 4-hydroxyalkenals; SDH: sorbitol dehydrogenase

Results

signif. increase in LPO in liver, lung, and kidney; serum SDH activity increas. 470-fold; time- and dose-depend. effects

Joong Kim, Seok; Reiter, Russel J.; Garay, M. Veronica Rouvier; Qi, Wenbo; El-Sokkary, Gamal H.; Tan, DunXian; Toxicology; vol. 130; nb. 2-3; (1998); p. 183 - 190, View in Reaxys 13 of 34

Effect (Pharmacological Data)

DNA; examination of

Species or Test-System (Pharmacological Data)

ovine seminal vesicle cells

Concentration (Pharmacological Data)

5 mmol/l

Method (Pharmacological Data)

in DMEM; incubated for 4 h; DNA isolated, hydrolysed and analyzed by reverse phase HPLC with electrochemical detection within maximally 5 h after hydrolysis; frequency of DX1, 8-aminodeoxuguanosine and 8-oxodeoxyguanosine residues in the DNA determined

Further Details (Pharmacological Data)

2 independent experiments

Results

title comp. induced only marginal amounts of the characteristic DNA modifications DX1 and 8-aminodGuo; no detectable elevation of the level of 8-oxodGuo residues in DNA

Kreis, Patricia; Degen, Gisela H.; Andrae, Ulrich; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 413; nb. 1; (1998); p. 69 - 81, View in Reaxys 14 of 34

Effect (Pharmacological Data)

genetic toxicity in vitro

Species or Test-System (Pharmacological Data)

ovine seminal vesicle cells

Concentration (Pharmacological Data)

<= 10 mmol/l

Method (Pharmacological Data)

DNA repair synthesis test; in DMEM; bromodeoxyuridine density-shift method; in the presence of FdUrd, BrdUrd and <3H>dCyd (10 μCi/ml); incubated for 18 h; radioactivity incorporated into unreplicated DNA strands measurements

Further Details (Pharmacological Data)

confluent cells preincubated with 40 μM FdUrd and 200 μM BrdUrd for 1 h; 2 independent experiments

Results

title comp. markedly stimulated repair replication (maximal at 5 mM); diagram

Kreis, Patricia; Degen, Gisela H.; Andrae, Ulrich; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 413; nb. 1; (1998); p. 69 - 81, View in Reaxys 15 of 34

Effect (Pharmacological Data)

DNA; examination of

Species or Test-System (Pharmacological Data)

Wistar rat

Sex

male

Route of Application

intraperitoneal

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Concentration (Pharmacological Data)

100 mg/kg

Exposure Period (Pharmacological Data)

24 h

Method (Pharmacological Data)

in corn oil (control); DNA damage in bone marrow determined; bone marrow collected from both femurs; comet assay (single cell gel electrophoresis); ratio of 8-oxo-7,8-dihydro-2'-deoxyguanosine (8-oxodG) to deoxyguanosine (dG) determined

Further Details (Pharmacological Data)

6 animals; 6 weeks old rats weighing 200-220 g used; rats kept at 22-24 deg C, 55 percent RH under a 12:12 dark/light cycle

Results

average comet tail length (μm): 9.61 (control: 1.46) (3-dimensional histogram); 8oxodG/1E5 dG: 5.14 (control: 1.04); good correlation between the tail length in the comet assay and the 8-oxodG level in nucleated bone marrow cells (diagram)

Deng, Xin-Sheng; Tuo, Jinsheng; Poulsen, Henrik E.; Loft, Steffen; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 391; nb. 3; (1997); p. 165 - 169, View in Reaxys 16 of 34

Effect (Pharmacological Data)

toxicity, acute

Species or Test-System (Pharmacological Data)

CD-1 mouse

Sex

male

Route of Application

intraperitoneal

Exposure Period (Pharmacological Data)

Ca. 4 d

Method (Pharmacological Data)

in olive oil

Further Details (Pharmacological Data)

ca. 8-10 week-old mice

Type (Pharmacological Data)

LD50

Value of Type (Pharmacological Data)

1000 mg/kg

Morita, Takeshi; Asano, Norihide; Awogi, Takumi; Sasaki, Yu F.; Sato, Sei-Ichi; Shimada, Hiroyasu; Sutou, Sizuyo; Suzuki, Takayoshi; Wakata, Akihiro; Sofuni, Toshio; Hayashi, Makoto; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 389; nb. 1; (1997); p. 3 - 122, View in Reaxys 17 of 34

Effect (Pharmacological Data)

genetic toxicity in vivo

Species or Test-System (Pharmacological Data)

CD-1 mouse

Sex

male

Route of Application

intraperitoneal

Concentration (Pharmacological Data)

250 - 500 mg/kg

Kind of Dosing (Pharmacological Data)

double treatment

Exposure Period (Pharmacological Data)

24 h

Method (Pharmacological Data)

rodent micronucleus assay; in olive oil; bone marrow polychromatic erythrocytes (PCE) analysed; micronucleated PCE recorded based on the observation of at least 1000 PCE per animal

Further Details (Pharmacological Data)

ca. 8-10 week-old mice; 5 mice/group; International Agency for Research on Cancer (IARC) group 2B chemical; Collaborative Study Group of the Micronucleus Test

Comment (Pharmacological Data)

No effect

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Morita, Takeshi; Asano, Norihide; Awogi, Takumi; Sasaki, Yu F.; Sato, Sei-Ichi; Shimada, Hiroyasu; Sutou, Sizuyo; Suzuki, Takayoshi; Wakata, Akihiro; Sofuni, Toshio; Hayashi, Makoto; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 389; nb. 1; (1997); p. 3 - 122, View in Reaxys 18 of 34

Effect (Pharmacological Data)

genetic toxicity in vivo

Species or Test-System (Pharmacological Data)

CD-1 mouse

Sex

male

Route of Application

intraperitoneal

Concentration (Pharmacological Data)

125 - 500 mg/kg

Kind of Dosing (Pharmacological Data)

double treatment

Exposure Period (Pharmacological Data)

24 - 72 h

Method (Pharmacological Data)

rodent micronucleus assay; in olive oil; peripheral blood reticulocytes (RET) analysed; micronucleated RET recorded based on the observation of at least 1000 RET per animal

Further Details (Pharmacological Data)

ca. 8-10 week-old mice; 5 mice/group; International Agency for Research on Cancer (IARC) group 2B chemical; Collaborative Study Group of the Micronucleus Test

Comment (Pharmacological Data)

No effect

Morita, Takeshi; Asano, Norihide; Awogi, Takumi; Sasaki, Yu F.; Sato, Sei-Ichi; Shimada, Hiroyasu; Sutou, Sizuyo; Suzuki, Takayoshi; Wakata, Akihiro; Sofuni, Toshio; Hayashi, Makoto; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 389; nb. 1; (1997); p. 3 - 122, View in Reaxys 19 of 34

Effect (Pharmacological Data)

cytotoxicity

Species or Test-System (Pharmacological Data)

BALB/c mice hepatocytes

Sex

male

Concentration (Pharmacological Data)

5 mmol/l

Method (Pharmacological Data)

in vitro; mice weighing 20-25 g; effect of methylene blue (50 μM); incubation time 5 h; release of LDH from cells

Results

LDH release with methylene blue: 91.4 percent, without methylene blue: 18.6 percent

Kohl; Gescher; Xenobiotica; vol. 27; nb. 8; (1997); p. 843 - 852, View in Reaxys 20 of 34

Effect (Pharmacological Data)

biotransformation

Species or Test-System (Pharmacological Data)

BALB/c mice cytosol

Sex

male

Concentration (Pharmacological Data)

5 mmol/l

Method (Pharmacological Data)

in vitro; rats weighing 200-250 g; denitrification; S9; 37 deg C; pH 7.4

Comment (Pharmacological Data)

No effect

Kohl; Gescher; Xenobiotica; vol. 27; nb. 8; (1997); p. 843 - 852, View in Reaxys 21 of 34

Effect (Pharmacological Data)

biotransformation

Species or Test-System (Pharmacological Data)

BALB/c mice mitochondria

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Sex

male

Concentration (Pharmacological Data)

5 mmol/l

Method (Pharmacological Data)

in vitro; rats weighing 200-250 g; denitrification; S9; 37 deg C; pH 7.4

Results

rate of nitrite formation: ca. 0.25 nmol NO2(-)/min/mg protein

Kohl; Gescher; Xenobiotica; vol. 27; nb. 8; (1997); p. 843 - 852, View in Reaxys 22 of 34

Effect (Pharmacological Data)

biotransformation

Species or Test-System (Pharmacological Data)

BALB/c mice microsomes

Sex

male

Concentration (Pharmacological Data)

5 mmol/l

Method (Pharmacological Data)

in vitro; rats weighing 200-250 g; denitrification; S9; 37 deg C; pH 7.4

Results

rate of nitrite formation: ca. 1.5 nmol NO2(-)/min/mg protein

Kohl; Gescher; Xenobiotica; vol. 27; nb. 8; (1997); p. 843 - 852, View in Reaxys 23 of 34

Effect (Pharmacological Data)

biotransformation

Species or Test-System (Pharmacological Data)

BALB/c mice hepatocytes

Sex

male

Concentration (Pharmacological Data)

5 mmol/l

Method (Pharmacological Data)

in vitro; mice weighing 20-25 g; denitrification; effect of methylene blue (50 μM)

Results

rate of nitrite formation: without methylene blue: ca. 1.3 nmol NO2(-)/min/1E6 cells, with methylene blue: ca. 5 nmol NO2(-)/min/1E6 cells

Kohl; Gescher; Xenobiotica; vol. 27; nb. 8; (1997); p. 843 - 852, View in Reaxys 24 of 34

Effect (Pharmacological Data)

biotransformation

Species or Test-System (Pharmacological Data)

Wistar rat cytosol

Sex

male

Concentration (Pharmacological Data)

5 mmol/l

Method (Pharmacological Data)

in vitro; rats weighing 200-250 g; denitrification; S9; 37 deg C; pH 7.4

Comment (Pharmacological Data)

No effect

Kohl; Gescher; Xenobiotica; vol. 27; nb. 8; (1997); p. 843 - 852, View in Reaxys 25 of 34

Effect (Pharmacological Data)

biotransformation

Species or Test-System (Pharmacological Data)

Wistar rat mitochondria

Sex

male

Concentration (Pharmacological Data)

5 mmol/l

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Method (Pharmacological Data)

in vitro; rats weighing 200-250 g; denitrification; S9; 37 deg C; pH 7.4

Results

rate of nitrite formation: ca. 0.2 nmol NO2(-)/min/mg protein

Kohl; Gescher; Xenobiotica; vol. 27; nb. 8; (1997); p. 843 - 852, View in Reaxys 26 of 34

Effect (Pharmacological Data)

biotransformation

Species or Test-System (Pharmacological Data)

Wistar rat microsomes

Sex

male

Concentration (Pharmacological Data)

5 mmol/l

Method (Pharmacological Data)

in vitro; rats weighing 200-250 g; denitrification; S9; 37 deg C; pH 7.4

Results

rate of nitrite formation: ca. 0.5 nmol NO2(-)/min/mg protein

Kohl; Gescher; Xenobiotica; vol. 27; nb. 8; (1997); p. 843 - 852, View in Reaxys 27 of 34

Effect (Pharmacological Data)

biotransformation

Species or Test-System (Pharmacological Data)

Wistar rat hepatocytes

Sex

male

Concentration (Pharmacological Data)

5 mmol/l

Method (Pharmacological Data)

in vitro; rats weighing 200-250 g; denitrification

Results

rate of nitrite formation: ca. 800 pmol NO2(-)/min/1E6 cells

Kohl; Gescher; Xenobiotica; vol. 27; nb. 8; (1997); p. 843 - 852, View in Reaxys 28 of 34

Effect (Pharmacological Data)

mutagenic (microorganism)

Species or Test-System (Pharmacological Data)

Salmonella typhimurium TA100

Concentration (Pharmacological Data)

1336 μg/plate

Exposure Period (Pharmacological Data)

72 h

Method (Pharmacological Data)

Ames test; in the presence of S9 fraction from male F344 rat liver induced with β-naphthoflavone and phenobarbital; effect of specific tea polyphenols, polyphenon 60 and polyphenon 100 from green tea, and polyphenon B from black tea (1, 2 and 3 mg)

Results

title comp. alone: 341 revertants/plate; small significant reduction in the mutagenicity after addition of polyphenon 100 and polyphenon B, no effect of polyphenon 60

Weisburger, John H.; Hara, Yukihiko; Dolan, Lisa; Luo, Feng-Qi; Pittman, Brian; Zang, Edith; Mutation Research - Genetic Toxicology; vol. 371; nb. 1-2; (1996); p. 57 - 63, View in Reaxys 29 of 34

Effect (Pharmacological Data)

microorganism; examin. of

Species or Test-System (Pharmacological Data)

Salmonella typhimurium TA100

Concentration (Pharmacological Data)

1336 μg/plate

Exposure Period (Pharmacological Data)

72 h

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Method (Pharmacological Data)

Comment (Pharmacological Data)

No effect

Weisburger, John H.; Hara, Yukihiko; Dolan, Lisa; Luo, Feng-Qi; Pittman, Brian; Zang, Edith; Mutation Research - Genetic Toxicology; vol. 371; nb. 1-2; (1996); p. 57 - 63, View in Reaxys 30 of 34

Effect (Pharmacological Data)

enzyme; induction of

Species or Test-System (Pharmacological Data)

rat liver aryl sulfotransferase

Sex

male

Concentration (Pharmacological Data)

2 mmol/l

Exposure Period (Pharmacological Data)

90 min

Method (Pharmacological Data)

enzyme from livers of F344 rats, medium: sodium phosphate, sodium hydroxide, pH 7.0, room temperature, 30 min, saturated with guanosine 2 mM, mercaptoethanol, PAPS, mixture shaken gently, 37 deg C; 8-aminoguanosine, 8-oxoguanosine analyzed; HPLC-EC

Results

served as substrate for aryl sulfotransferase-catalysed production of 8-aminoguanosine, 0.071 nmol, 8-oxoguanosine, 0.055 nmol

Fiala; Sodum; Hussain; Rivenson; Dolan; Toxicology; vol. 99; nb. 1-2; (1995); p. 89 - 97, View in Reaxys 31 of 34

Effect (Pharmacological Data)

DNA; examination of

Species or Test-System (Pharmacological Data)

rat hepatocytes

Sex

male

Concentration (Pharmacological Data)

1E-07 - 0.001 mol/l

Exposure Period (Pharmacological Data)

Method (Pharmacological Data)

hepatocytes isolated from adult F344 rats by two-step perfusion of liver with collagenase, vehicle, DMSO, cultures incubated, 20 h, cells attached to coverslips washed, stained after exposure, 4 deg C; net nuclear grain counts calculated

Results

induce DNA repair, toxic to hepatocytes at highest conc.

Fiala; Sodum; Hussain; Rivenson; Dolan; Toxicology; vol. 99; nb. 1-2; (1995); p. 89 - 97, View in Reaxys 32 of 34

Effect (Pharmacological Data)

hepatotoxic

Species or Test-System (Pharmacological Data)

Fischer 344 rat

Sex

male

Route of Application

intraperitoneal

Concentration (Pharmacological Data)

100 mg/kg

Exposure Period (Pharmacological Data)

6 - 15 h

Method (Pharmacological Data)

5-wk-old rats; pretreated with 2 percent green tea (Tea) or catechin extract solution (Ext) for 2 wk before title compound injection; liver 8-hydroxydeoxyguanosine (8-OHdG), serum aminotransferases (GOT and GPT), lactate dehydrogenase (LDH) levels determined

Further Details (Pharmacological Data)

animals housed in plastic cages at 23 deg C, RH: 55 percent and a 12-hr lighting cycle; dissolved in 0.9 percent NaCl solution containing 0.1 percent Tween 20

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Results

title compound caused increase of 8-OHdG adducts in liver nuclear DNA (depressed 50 percent after Tea pretreatment); Tea prevented time-dependent elevations GOT, GPT, and LDH values by title compound; incr. hepatic lipid peroxide level (decr. by Tea 30-100 percent)

Hasegawa, R.; Chujo, T.; Sai-Kato, K.; Umemura, T.; Tanimura, A.; Kurokawa, Y.; Food and Chemical Toxicology; vol. 33; nb. 11; (1995); p. 961 - 970, View in Reaxys 33 of 34

Effect (Pharmacological Data)

mutagenic

Species or Test-System (Pharmacological Data)

Salmonella typhimurium TA100

Concentration (Pharmacological Data)

2 - 16.0 μmol/plate

Method (Pharmacological Data)

mutagenicity test performed according pre-incubation Ames test; S9 not used; test comp. held at t=37 deg C, pH 6.1, 7.4, 9.1 prior addition bacteria for 0, 2, 24 h

Results

mutagenicity increased with higher pH; the longer incubation time prior to addition of bacteria the more pronounced was effect of pH on mutagenicity; effect of tautomerization studied

Kohl, C.; Mynett, K.; Davies, J. E.; Gescher, A.; Chipman, J. K.; Mutation Research; vol. 321; nb. 1,2; (1994); p. 65 - 72, View in Reaxys 34 of 34

Effect (Pharmacological Data)

mutagenic

Species or Test-System (Pharmacological Data)

Salmonella typhimurium TA102

Concentration (Pharmacological Data)

2 - 16.0 μmol/plate

Method (Pharmacological Data)

mutagenicity test performed according pre-incubation Ames test; S9 not used

Results

mutagenicity curve shown; effect of tautomerization studied

Kohl, C.; Mynett, K.; Davies, J. E.; Gescher, A.; Chipman, J. K.; Mutation Research; vol. 321; nb. 1,2; (1994); p. 65 - 72, View in Reaxys Concentration in the Environment (2) 1 of 2

Media (Concentration in the Environment)

cigarette smoke

Contamination Concentration

6.1 - 44.0 ng/cigarette

Method, Remarks (Concentration in the Environment)

12 low tar, ultra low tar and full flavour cigarettes; smoked under Massachusetts Department of Public Health conditions; according to International Conference of Harmonization guidelines; GLP; thermal energy analyser

Roemer; Stabbert; Rustemeier; Veltel; Meisgen; Reininghaus; Carchman; Gaworski; Podraza; Toxicology; vol. 195; nb. 1; (2004); p. 31 - 52, View in Reaxys 2 of 2

Media (Concentration in the Environment)

cigarette smoke

Contamination Concentration

0 - 18.7 ng/cigarette

Method, Remarks (Concentration in the Environment)

12 low tar, ultra low tar and full flavour cigarettes; smoked under US Federal Trade Commission/International Organisation for Standardisation conditions; according to International Conference of Harmonization guidelines; GLP; thermal energy analyser

Roemer; Stabbert; Rustemeier; Veltel; Meisgen; Reininghaus; Carchman; Gaworski; Podraza; Toxicology; vol. 195; nb. 1; (2004); p. 31 - 52, View in Reaxys Transport and Distribution (3) 1 of 3

Type (Transport and Distribution)

partition

Media (Transport and Distribution)

air - Leonardite humic acid

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Results

Leonardite humic acid/air partition coefficient, KHA,air = 5.10E2 - 1.48E3 l/kgHA; relative humidity affected experimental partition coefficient by up to a factor of 3

Method, Remarks (Transport and Distribution)

dynamic flow-through technique; IGC-FID; title comp. injected onto the column packed with humic acid (<2 μm thick) coated glass beads; equilibrated at least 48 h; <0.01 percent-98 percent relative humidity; 15 deg C; relative humidity effect on partition equilibrium

Niederer, Christian; Goss, Kai-Uwe; Schwarzenbach, Rene P.; Environmental Science and Technology; vol. 40; nb. 17; (2006); p. 5368 - 5373, View in Reaxys 2 of 3

Type (Transport and Distribution)

sorption

Media (Transport and Distribution)

air - Leonardite humic acid

Results

experimental sorption enthalpy, ΔabsHi = -56.5 kJ/mol

Method, Remarks (Transport and Distribution)

dynamic flow-through technique; IGC-FID; title comp. injected onto the column packed with humic acid (<2 μm thick) coated glass beads; equilibrated for 80 d; 98 percent relative humidity; 5 to 75 deg C

Niederer, Christian; Goss, Kai-Uwe; Schwarzenbach, Rene P.; Environmental Science and Technology; vol. 40; nb. 17; (2006); p. 5368 - 5373, View in Reaxys 3 of 3

Type (Transport and Distribution)

partition

Media (Transport and Distribution)

air - Leonardite humic acid

Results

Leonardite humic acid/air partition coefficient, KHA,air = 2.16E2 - 2.05E3 l/kgHA; no glass transitions below 75 deg C that had an effect on the sorption properties of humic acid as indicated by linear van't Hoff plot

Method, Remarks (Transport and Distribution)

Niederer, Christian; Goss, Kai-Uwe; Schwarzenbach, Rene P.; Environmental Science and Technology; vol. 40; nb. 17; (2006); p. 5368 - 5373, View in Reaxys Use (2) Use Pattern Solvent for preparation bioactive surface coating composition

Location

References

Page/Page column 2; 4

Patent; Eastman Kodak Company; US2007/149652; (2007); (A1) English, View in Reaxys Patent; Reactive Surfaces, Ltd.; US2005/58689; (2005); (A1) English, View in Reaxys

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