Query Query
Results
Date
2 substances in Reaxys
2017-10-13 05h:22m:42s (EST)
1 substances in Reaxys
2017-10-13 05h:23m:36s (EST)
Br
1. Query
P
Br
Br
Search as: As drawn, No salts, No mixtures, No isotopes, No charges, No radicals 2. Query
(1. Query) AND itemno in (1)
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Reaxys ID 3903060 View in Reaxys
1/1 CAS Registry Number: 7789-60-8 Chemical Name: phosphorus tribromide; Phosphorus tribromide Linear Structure Formula: Br3P Molecular Formula: Br3P Molecular Weight: 270.686 InChI Key: IPNPIHIZVLFAFP-UHFFFAOYSA-N Note:
Br P
Br
Br
Substance Label (2) Label References 270.69
Patent; Dentsply DeTry GmbH; Klee, Joachim E.; Elsner, Oliver; Pohle, Sven; Ritter, Helmut; Bernert, Dominika; (20 pag.); US9682019; (2017); (B2) English, View in Reaxys
PBr3
Li, Zhao; Gao, Xinghui; Shi, Wen; Li, Xiaohua; Ma, Huimin; Chemical Communications; vol. 49; nb. 52; (2013); p. 5859 - 5861, View in Reaxys
Patent-Specific Data (2) Location in Patent References Page/Page column
Patent; Hoffmann-La Roche Inc.; Dehmlow, Henrietta; Martin, Rainer E.; Mattei, Patrizio; Obst Sander, Ulrike; Richter, Hans; US2013/123267; (2013); (A1) English, View in Reaxys; Patent; GLAXO GROUP LIMITED; Castro Pichel, Julia; Fernandez Menendez, Raquel; Fernandez Velando, Esther Pilar; Gonzalez Del Valle, Silvia; Mallo-Rubio, Araceli; US2013/203802; (2013); (A1) English, View in Reaxys; Patent; Kowa Co., Ltd.; SHIBUYA, Kimiyuki; OHGIYA, Tadaaki; MURAKAMI, Takeshi; EP2626351; (2013); (A1) English, View in Reaxys; Patent; Biota Europe Ltd.; Lunniss, Christopher James; Palmer, James T.; Pitt, Gary Robert William; Davies, David; Axford, Lorraine Claire; US2013/252938; (2013); (A1) English, View in Reaxys; Patent; Kornacker, Michael G.; Mapelli, Claudio; Riexinger, Douglas James; US2013/289238; (2013); (A1) English, View in Reaxys; Patent; NOVARTIS AG; Cotesta, Simona; Furet, Pascal; Guagnano, Vito; Holzer, Philipp; Kallen, Joerg; Mah, Robert; Masuya, Keiichi; Schlapbach, Achim; Stutz, Stefan; Vaupel, Andrea; US2013/317024; (2013); (A1) English, View in Reaxys; Patent; Glaxosmithkline LLC; Aubart, Kelly M.; Benowitz, Andrew B.; Fang, Yuhong; Hoffman, James; Karpinski, Joseph M.; Knox, Andrew Nicholson; Liao, Xiangmin; Qin, Donghui; Shi, Dongchuan; Spletstoser, Jared T.; US2013/345120; (2013); (A1) English, View in Reaxys; Patent; National University Corporation Kagawa University; FUNAHASHI Masahiro; TAKEUCHI Nozomi; EP2695885; (2014); (A1) English, View in Reaxys; Patent; Cadila Healthcare Limited; Pandey, Bipin; Lonray, Vidya Bhushan; Lohray, Braj Bhushan; US2014/88127; (2014); (A1) English, View in Reaxys; Patent; ONO Pharmaceutical Co., Ltd.; OBITSU, Tetsuo; TANI, Kousuke; SUGIHARA, Hikaru; NISHIURA, Akio; FUJIMURA, Shinsei; EP2740724; (2014); (A1) English, View in Reaxys; Patent; The Government of the United States of America, as reperesented by the Secretary of the Navy; Coneski, Peter N.; Lundin, Jeffrey G.; Fulmer, Preston A.; Wynne, James H.; US2014/221495; (2014); (A1) English, View in Reaxys; Patent; Takeda Pharmaceutical Company Limited; Lawson, John David; Sabat, Mark; Scorah, Nicholas; Smith, Christopher; Vu, Phong H.; Wang, Haixia; US2014/256734; (2014); (A1) English, View in Reaxys; Patent; Ren, Pingda; Liu, Yi; Li, Liansheng; Feng, Jun; Wu, Tao; US2014/288045; (2014); (A1) English, View in Reaxys; Patent; GlaxoSmithKline Intellectual Property (No. 2) Limited; Aubart, Kelly M.; Benowitz, Andrew B.; Fang, Yuhong; Hoffman, James; Karpinski, Joseph M.; Knox, Andrew Nicholson; Liao, Xiangmin; Qin, Donghui; Shi, Dongchuan; Spletstoser, Jared T.; US8901119; (2014); (B2) English, View in Reaxys; Patent; Acteon Pharmaceuticals Ltd.; Abele, Stefan; Schmidt, Gunther; US2015/25244; (2015); (A1) English, View in Reaxys; Patent; ACTELION PHARMACEUTICALS LTD.; Bolli, Martin; Boss, Christoph; Brotschi, Christine; Heidmann, Bibia; Sifferlen, Thierry; Williams, Jodi T.; US2015/158855; (2015); (A1) English, View in Reaxys
Claim
Patent; Sotzing, Gregory A.; US2009/326187; (2009); (A1) English, View in Reaxys; Patent; MSN Laboratories Limited; US2012/16129; (2012); (A1) English, View in Reaxys; Patent; The University of Connecticut; US8168671; (2012); (B2) English, View in Reaxys
Druglikeness (1) 1 of 1
LogP
2.961
H Bond Donors
0
H Bond Acceptors
0
Rotatable Bonds
0
TPSA
13.59
Lipinski Number
4
Veber Number
2
Purification (2)
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Purification (method)
References
purification described
Driel, M. van; Gerding, H.; Recueil des Travaux Chimiques des Pays-Bas; vol. 60; (1941); p. 943 - 946, View in Reaxys; Rossini, F. D.; Wagman, D. D.; Evans, W. H.; Levine, S.; Jaffe, I.; Selected Values, 1952, S. 848, View in Reaxys; Mitchell; Pure and Applied Chemistry; vol. 54; nb. 4; (1981); p. 819 - 834 ; (from Gmelin), View in Reaxys
purification described
vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
Melting Point (3) 1 of 3
Melting Point [°C]
-40
Pushin, N. A.; Makuc, J.; Glasnik Hemijskog Drustva Beograd; vol. 15; (1950); p. 17 - 25, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494, View in Reaxys; Kafarov, V. V.; Dorokhov, I. N.; Vetokhin, V. N.; Volkov, L. P.; Doklady Physical Chemistry (Translation of the physical chemistry section of Doklady Akademii Nauk); vol. 314; (1990); p. 683 - 686; Doklady Akademii Nauk SSSR; vol. 314; (1990); p. 201 - 205 ; (from Gmelin), View in Reaxys 2 of 3
Melting Point [°C]
-40.5
vol. P: MVol.C; 214, page 491 - 494, View in Reaxys; Biltz, W.; Jeep, K.; Z. Anorg. Chem.; vol. 162; (1927); p. 32 48 ; (from Gmelin), View in Reaxys 3 of 3
Melting Point [°C]
-41.5
Christomanos, A. C.; Z. Anorg. Chem.; vol. 41; (1904); p. 276 - 290, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys Boiling Point (11) Boiling Point [°C] Pressure (Boiling Point) [Torr] 173.3
References Kafarov, V. V.; Dorokhov, I. N.; Vetokhin, V. N.; Volkov, L. P.; Doklady Physical Chemistry (Translation of the physical chemistry section of Doklady Akademii Nauk); vol. 314; (1990); p. 683 - 686; Doklady Akademii Nauk SSSR; vol. 314; (1990); p. 201 - 205 ; (from Gmelin), View in Reaxys
171
760
Christomanos, A. C.; Z. Anorg. Chem.; vol. 41; (1904); p. 276 - 290, View in Reaxys; Pushin, N. A.; Makuc, J.; Glasnik Hemijskog Drustva Beograd; vol. 15; (1950); p. 17 25, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
171.5
763
Vogel, A. I.; Journal of the Chemical Society; (1948); p. 1833 - 1855, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
173.3
760
Driel, M. van; Gerding, H.; Recueil des Travaux Chimiques des Pays-Bas; vol. 60; (1941); p. 943 - 946, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
172.8
760
Arii, K.; Kawabata, M.; Rikagaku Kenkyusho Iho; vol. 17; (1938); p. 299 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
173
Butkov, K.; Zh. fiz. Khim.; vol. 7; (1936); p. 182 - 190, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
172
762
Biltz, W.; Sapper, A.; Wuennenberg, E.; Z. anorg. allg. Chem.; vol. 203; (1932); p. 277 - 306, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494, View in Reaxys; Biltz, W.; Jeep, K.; Z. Anorg. Chem.; vol. 162; (1927); p. 32 - 48 ; (from Gmelin), View in Reaxys
176 - 177
772
Sugden, S.; Reed, J. B.; Wilkins, H.; Journal of the Chemical Society; vol. 127; (1925); p. 1525 - 1540, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
66.5
20
Sugden, S.; Reed, J. B.; Wilkins, H.; Journal of the Chemical Society; vol. 127; (1925); p. 1525 - 1540, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
170.2
750
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
172
757
Walden, P.; Z. Anorg. Chem.; vol. 25; (1900); p. 209 - 226, View in Reaxys; Walden, P.; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 43; (1903); p. 385 - 464, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
Refractive Index (5)
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Refractive Index
Wavelength (Refractive Index) [nm]
Temperature (Refractive Index) [°C]
References
1.69632
589.3
1.6864
656.3
20
Jones, W. J.; Davies, W. C.; Dycke, W. J. C.; Journal of Physical Chemistry; vol. 37; (1933); p. 583 - 596, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
1.6935
589.3
20
Jones, W. J.; Davies, W. C.; Dycke, W. J. C.; Journal of Physical Chemistry; vol. 37; (1933); p. 583 - 596, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
1.7178
486.1
20
Jones, W. J.; Davies, W. C.; Dycke, W. J. C.; Journal of Physical Chemistry; vol. 37; (1933); p. 583 - 596, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
1.6945
589
Vogel, A. I.; Journal of the Chemical Society; (1948); p. 1833 - 1855, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
Christomanos, A. C.; Z. Anorg. Chem.; vol. 41; (1904); p. 276 - 290, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
Density (24) 1 of 24
Density [g·cm-3]
2.85
Location
supporting information
Yuan, Bin-Hua; Zhang, Zhi-Cheng; Liu, Wen-Jie; Sun, Xing-Wen; Tetrahedron Letters; vol. 57; nb. 20; (2016); p. 2147 - 2151, View in Reaxys 2 of 24
Density [g·cm-3]
2.8513
Measurement Temperature [°C]
30
Weissler, A.; Journal of the American Chemical Society; vol. 71; (1949); p. 1272 - 1274, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys 3 of 24
Density [g·cm-3]
2.7364
Measurement Temperature [°C]
85
Vogel, A. I.; Journal of the Chemical Society; (1948); p. 1833 - 1855, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys 4 of 24
Density [g·cm-3]
2.7965
Measurement Temperature [°C]
60
Vogel, A. I.; Journal of the Chemical Society; (1948); p. 1833 - 1855, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys 5 of 24
Density [g·cm-3]
2.842
Measurement Temperature [°C]
41
Vogel, A. I.; Journal of the Chemical Society; (1948); p. 1833 - 1855, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys 6 of 24
Density [g·cm-3]
2.8903
Measurement Temperature [°C]
20
Vogel, A. I.; Journal of the Chemical Society; (1948); p. 1833 - 1855, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys 7 of 24
Density [g·cm-3]
2.8761
Measurement Temperature [°C]
20
Jones, W. J.; Davies, W. C.; Dycke, W. J. C.; Journal of Physical Chemistry; vol. 37; (1933); p. 583 - 596, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
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8 of 24
Density [g·cm-3]
3.412
Measurement Temperature [°C]
-79
Comment (Density)
Solid
Biltz, W.; Sapper, A.; Wuennenberg, E.; Z. anorg. allg. Chem.; vol. 203; (1932); p. 277 - 306, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys 9 of 24
Density [g·cm-3]
3.514
Measurement Temperature [°C]
-183
Comment (Density)
Solid
Biltz, W.; Sapper, A.; Wuennenberg, E.; Z. anorg. allg. Chem.; vol. 203; (1932); p. 277 - 306, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys 10 of 24
Comment (Density)
density equation
Sugden, S.; Reed, J. B.; Wilkins, H.; Journal of the Chemical Society; vol. 127; (1925); p. 1525 - 1540, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys 11 of 24
Density [g·cm-3]
2.502
Measurement Temperature [°C]
170
Comment (Density)
Liquid
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 - 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys 12 of 24
Density [g·cm-3]
2.542
Measurement Temperature [°C]
154
Comment (Density)
Liquid
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 - 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys 13 of 24
Density [g·cm-3]
2.577
Measurement Temperature [°C]
140
Comment (Density)
Liquid
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 - 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys 14 of 24
Density [g·cm-3]
2.615
Measurement Temperature [°C]
125
Comment (Density)
Liquid
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 - 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys 15 of 24
Density [g·cm-3]
2.636
Measurement Temperature [°C]
116
Comment (Density)
Liquid
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 - 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
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16 of 24
Density [g·cm-3]
2.676
Measurement Temperature [°C]
99.8
Comment (Density)
Liquid
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 - 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys 17 of 24
Density [g·cm-3]
2.701
Measurement Temperature [°C]
90
Comment (Density)
Liquid
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 - 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys 18 of 24
Density [g·cm-3]
2.735
Measurement Temperature [°C]
75.7
Comment (Density)
Liquid
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 - 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys 19 of 24
Density [g·cm-3]
2.762
Measurement Temperature [°C]
64.8
Comment (Density)
Liquid
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 - 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys 20 of 24
Density [g·cm-3]
2.799
Measurement Temperature [°C]
50.3
Comment (Density)
Liquid
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 - 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys 21 of 24
Density [g·cm-3]
2.837
Measurement Temperature [°C]
35.3
Comment (Density)
Liquid
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 - 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys 22 of 24
Density [g·cm-3]
2.871
Measurement Temperature [°C]
20.8
Comment (Density)
Liquid
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 - 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys 23 of 24
Density [g·cm-3]
2.923
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Measurement Temperature [°C]
0
Comment (Density)
Liquid
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 - 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys 24 of 24
Density [g·cm-3]
2.972
Measurement Temperature [°C]
-20
Comment (Density)
Liquid
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 - 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys Conformation (1) Object of Investi- References gation Conformation
Helferich, B.; Zeitschrift fuer Naturforschung; vol. 1; (1946); p. 666 - 670, View in Reaxys; Emeleus, H. J.; Miall, S.; Journal of the Society of Chemical Industry, London; vol. 56; (1937); p. 33 - 38, View in Reaxys; Walsh, A. D.; Journal of the Chemical Society; (1953); p. 2301 - 2306, View in Reaxys; vol. P: MVol.C; 160, page 366 - 368 ; (from Gmelin), View in Reaxys
Crystal Phase (1) Description (Crys- References tal Phase) Structure of the solid
Galy, Jean; Enjalbert, Renee; Journal of Solid State Chemistry; vol. 44; (1982); p. 1 - 23 ; (from Gmelin), View in Reaxys
Crystal Property Description (3) Colour & Other Point group Properties
Comment (Crystal References Property Description)
C3v
Clotet, A.; Rubio, J.; Illas, F.; Journal of Molecular Structure; vol. 164; (1988); p. 351 - 362, View in Reaxys; Helferich, B.; Zeitschrift fuer Naturforschung; vol. 1; (1946); p. 666 - 670, View in Reaxys; Bhagavantam, S.; Indian Journal of Physics (1926-1976); vol. 5; (1930); p. 73 - 95, View in Reaxys; vol. P: MVol.C; 160, page 366 368 ; (from Gmelin), View in Reaxys
colourless
BrCH2CO2H
Puri,J. K.; Kaur, Jaswinder; Sharma, Vijay; Miller, Jack M.; Polyhedron; vol. 2; (1983); p. 1287 - 1296 ; (from Gmelin), View in Reaxys
yellow
POCl3
Gutmann, V.; Z. Anorg. Chem.; vol. 269; (1952); p. 279 - 291, View in Reaxys; vol. P: MVol.C; 217, page 498 - 500 ; (from Gmelin), View in Reaxys
Dielectric Constant (1) Dielectric ConTemperature (Die- Comment (Dielec- References stant lectric Constant) tric Constant) [°C] 3.88
20
Liquid
Schlundt, H.; Journal of Physical Chemistry; vol. 8; (1904); p. 122 130, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
Dissociation Energy (1) Comment (Disso- References ciation Energy) information on dissociation energy
Hartley, S. B.; Holmes, W. S.; Jacques, J. K.; Mole, M. F.; McCoubrey, J. C.; Quarterly Reviews, Chemical Society; vol. 17; (1963); p. 204 - 223, View in Reaxys; Jan-Khan, M.; Samuel, R.; Proceedings of the Physical Society, London; vol. 48; (1936); p. 626 - 641, View in Reaxys; vol. P: MVol.C; 159, page 363 - 366, View in Reaxys; Mathur, B. P.; Rothe, Erhard W.; Tang, S. Y.; Reck, Gene P.; Journal of Chemical Physics; vol. 65; (1976); p. 565 - 569 ; (from Gmelin), View in Reaxys
Dynamic Viscosity (8)
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Dynamic Viscosity [P]
Temperature (Dynamic Viscosity) [°C]
References
0.01302
60
Luchinskii, G. P.; Zh. obshch. Khim.; vol. 7; (1937); p. 2116 - 2127, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494, View in Reaxys; Likhacheva, A. I.; Luchinskii, G. P.; I. Khim. phys.; vol. 33; (1936); p. 488 - 491, View in Reaxys; Luchinskii, G. P.; Likhacheva, A. I.; Zh. fiz. Khim.; vol. 7; (1936); p. 546 - 548 ; (from Gmelin), View in Reaxys
0.01426
50
Luchinskii, G. P.; Zh. obshch. Khim.; vol. 7; (1937); p. 2116 - 2127, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494, View in Reaxys; Likhacheva, A. I.; Luchinskii, G. P.; I. Khim. phys.; vol. 33; (1936); p. 488 - 491, View in Reaxys; Luchinskii, G. P.; Likhacheva, A. I.; Zh. fiz. Khim.; vol. 7; (1936); p. 546 - 548 ; (from Gmelin), View in Reaxys
0.0156
40
Luchinskii, G. P.; Zh. obshch. Khim.; vol. 7; (1937); p. 2116 - 2127, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494, View in Reaxys; Likhacheva, A. I.; Luchinskii, G. P.; I. Khim. phys.; vol. 33; (1936); p. 488 - 491, View in Reaxys; Luchinskii, G. P.; Likhacheva, A. I.; Zh. fiz. Khim.; vol. 7; (1936); p. 546 - 548 ; (from Gmelin), View in Reaxys
0.01721
30
Luchinskii, G. P.; Zh. obshch. Khim.; vol. 7; (1937); p. 2116 - 2127, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494, View in Reaxys; Likhacheva, A. I.; Luchinskii, G. P.; I. Khim. phys.; vol. 33; (1936); p. 488 - 491, View in Reaxys; Luchinskii, G. P.; Likhacheva, A. I.; Zh. fiz. Khim.; vol. 7; (1936); p. 546 - 548 ; (from Gmelin), View in Reaxys
0.01928
20
Luchinskii, G. P.; Zh. obshch. Khim.; vol. 7; (1937); p. 2116 - 2127, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494, View in Reaxys; Likhacheva, A. I.; Luchinskii, G. P.; I. Khim. phys.; vol. 33; (1936); p. 488 - 491, View in Reaxys; Luchinskii, G. P.; Likhacheva, A. I.; Zh. fiz. Khim.; vol. 7; (1936); p. 546 - 548 ; (from Gmelin), View in Reaxys
0.0217
10
Luchinskii, G. P.; Zh. obshch. Khim.; vol. 7; (1937); p. 2116 - 2127, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494, View in Reaxys; Likhacheva, A. I.; Luchinskii, G. P.; I. Khim. phys.; vol. 33; (1936); p. 488 - 491, View in Reaxys; Luchinskii, G. P.; Likhacheva, A. I.; Zh. fiz. Khim.; vol. 7; (1936); p. 546 - 548 ; (from Gmelin), View in Reaxys
0.02455
0
Luchinskii, G. P.; Zh. obshch. Khim.; vol. 7; (1937); p. 2116 - 2127, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494, View in Reaxys; Likhacheva, A. I.; Luchinskii, G. P.; I. Khim. phys.; vol. 33; (1936); p. 488 - 491, View in Reaxys; Luchinskii, G. P.; Likhacheva, A. I.; Zh. fiz. Khim.; vol. 7; (1936); p. 546 - 548 ; (from Gmelin), View in Reaxys
0.0292
-15
Luchinskii, G. P.; Zh. obshch. Khim.; vol. 7; (1937); p. 2116 - 2127, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494, View in Reaxys; Likhacheva, A. I.; Luchinskii, G. P.; I. Khim. phys.; vol. 33; (1936); p. 488 - 491, View in Reaxys; Luchinskii, G. P.; Likhacheva, A. I.; Zh. fiz. Khim.; vol. 7; (1936); p. 546 - 548 ; (from Gmelin), View in Reaxys
Electrical Moment (5) 1 of 5
Description (Electrical Moment)
Dipole moment
Moment (Electrical Moment) [D]
0.54 - 0.78
Method (Electrical Moment)
other methods
Davies, M.S.; Pierens, R.K.; Aroney, M.J.; Journal of Organometallic Chemistry; vol. 458; nb. 1-2; (1993); p. 141 146 ; (from Gmelin), View in Reaxys 2 of 5
Description (Electrical Moment)
Dipole moment
Moment (Electrical Moment) [D]
0.52
Method (Electrical Moment)
not given
Suenaga, K.; Kotera, A.; J. chem. Soc. Japan, Pure Chem. Sect.; vol. 70; (1949); p. 116 - 118, View in Reaxys; vol. P: MVol.C; 161, page 368 - 370 ; (from Gmelin), View in Reaxys 3 of 5
Description (Electrical Moment)
Dipole moment
Moment (Electrical Moment) [D]
0.7
Method (Electrical Moment)
Dielectric constant, permittivity
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Boettcher, C. J. F.; Recueil Trav. chim. Pays-Bas.; vol. 62; (1943); p. 119 - 133, View in Reaxys; vol. P: MVol.C; 161, page 368 - 370 ; (from Gmelin), View in Reaxys 4 of 5
Description (Electrical Moment)
Dipole moment
Moment (Electrical Moment) [D]
0.62
Method (Electrical Moment)
not given
Malone, J. G.; Journal of Chemical Physics; vol. 1; (1933); p. 197 - 199, View in Reaxys; vol. P: MVol.C; 161, page 368 - 370 ; (from Gmelin), View in Reaxys 5 of 5
Description (Electrical Moment)
Dipole moment
Moment (Electrical Moment) [D]
0.61
Method (Electrical Moment)
Dielectric constant, permittivity
Bergmann, E.; Engel, L.; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 13; (1931); p. 232 - 246, View in Reaxys; vol. P: MVol.C; 161, page 368 - 370, View in Reaxys; Bergmann, E.; Engel, L.; Phys. Z.; vol. 32; (1931); p. 507 - 509 ; (from Gmelin), View in Reaxys Electrochemical Characteristics (1) 1 of 1
Description (Electrochemical Characteristics)
polarography
Solvent (Electrochemical Characteristics)
acetonitrile
Comment (Electrochem- transmitted electrons: -1; potential diagram; 0.08 M tetraethylammonium perchlorate; -0.6 ical Characteristics) V Kisil'; Osadchenko; Tomilov; Russian Journal of General Chemistry; vol. 73; nb. 5; (2003); p. 695 - 696 ; (from Gmelin), View in Reaxys Electrolytic Conductivity (8) 1 of 8
Electrolytic Conductivity [S·l/(cm·mol)]
0.00178
Temperature (Electrolytic Conductivity) [°C]
25
Solvent (Electrolytic Conductivity)
acetonitrile
Kind of Conductivity
Molar conductivity
Comment (Electrolytic Conductivity)
0.025 mol/l
Harries, G. S.; Payne, D. S.; Journal of the Chemical Society; (1956); p. 4617 - 4621, View in Reaxys; vol. P: MVol.C; 217, page 498 - 500 ; (from Gmelin), View in Reaxys 2 of 8
Description (Electrolytic Conductivity)
Equivalent conductivity
Equivalent Conductivity [S·cm2/val]
0.0001679
Temperature (Electrolytic Conductivity) [°C]
-78.5
Solvent (Electrolytic Conductivity)
further solvent(s)
Comment (Electrolytic Conductivity)
0.162 mol PBr3/l in liquid H2S;
Quam, G. N.; Wilkinson, J. A.; Journal of the American Chemical Society; vol. 47; (1925); p. 989 - 994, View in Reaxys; vol. P: MVol.C; 217, page 498 - 500 ; (from Gmelin), View in Reaxys
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3 of 8
Description (Electrolytic Conductivity)
Equivalent conductivity
Equivalent Conductivity [S·cm2/val]
0.000365
Temperature (Electrolytic Conductivity) [°C]
-78.5
Solvent (Electrolytic Conductivity)
further solvent(s)
Comment (Electrolytic Conductivity)
0.1076 mol PBr3/l in liquid H2S;
Quam, G. N.; Wilkinson, J. A.; Journal of the American Chemical Society; vol. 47; (1925); p. 989 - 994, View in Reaxys; vol. P: MVol.C; 217, page 498 - 500 ; (from Gmelin), View in Reaxys 4 of 8
Description (Electrolytic Conductivity)
Equivalent conductivity
Equivalent Conductivity [S·cm2/val]
0.0006643
Temperature (Electrolytic Conductivity) [°C]
-78.5
Solvent (Electrolytic Conductivity)
further solvent(s)
Comment (Electrolytic Conductivity)
0.0538 mol PBr3/l in liquid H2S;
Quam, G. N.; Wilkinson, J. A.; Journal of the American Chemical Society; vol. 47; (1925); p. 989 - 994, View in Reaxys; vol. P: MVol.C; 217, page 498 - 500 ; (from Gmelin), View in Reaxys 5 of 8
Description (Electrolytic Conductivity)
Equivalent conductivity
Equivalent Conductivity [S·cm2/val]
8.47E-05
Temperature (Electrolytic Conductivity) [°C]
-78.5
Solvent (Electrolytic Conductivity)
further solvent(s)
Comment (Electrolytic Conductivity)
0.2155 mol PBr3/l H2S;
Quam, G. N.; Wilkinson, J. A.; Journal of the American Chemical Society; vol. 47; (1925); p. 989 - 994, View in Reaxys; vol. P: MVol.C; 217, page 498 - 500 ; (from Gmelin), View in Reaxys 6 of 8
Description (Electrolytic Conductivity)
Equivalent conductivity
Equivalent Conductivity [S·cm2/val]
0.151
Temperature (Electrolytic Conductivity) [°C]
0
Solvent (Electrolytic Conductivity)
liquid sulphur dioxide
Comment (Electrolytic Conductivity)
diln. 24.0 l/val;
Walden, P.; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 43; (1903); p. 385 - 464, View in Reaxys; vol. P: MVol.C; 217, page 498 - 500 ; (from Gmelin), View in Reaxys 7 of 8
Description (Electrolytic Conductivity)
Equivalent conductivity
Equivalent Conductivity [S·cm2/val]
0.346
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Temperature (Electrolytic Conductivity) [°C]
0
Solvent (Electrolytic Conductivity)
liquid sulphur dioxide
Comment (Electrolytic Conductivity)
diln. 63.5 l/val;
Walden, P.; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 43; (1903); p. 385 - 464, View in Reaxys; vol. P: MVol.C; 217, page 498 - 500 ; (from Gmelin), View in Reaxys 8 of 8
Description (Electrolytic Conductivity)
Equivalent conductivity
Equivalent Conductivity [S·cm2/val]
0.798
Temperature (Electrolytic Conductivity) [°C]
0
Solvent (Electrolytic Conductivity)
liquid sulphur dioxide
Comment (Electrolytic Conductivity)
diln. 259.0 l/val;
Walden, P.; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 43; (1903); p. 385 - 464, View in Reaxys; vol. P: MVol.C; 217, page 498 - 500 ; (from Gmelin), View in Reaxys Enthalpy of Formation (6) Enthalpy of ForTemperature (Enmation [Jmol-1] thalpy of Formation) [°C]
Comment (Enthalpy of Formation)
-185000
References
Kafarov, V. V.; Dorokhov, I. N.; Vetokhin, V. N.; Volkov, L. P.; Doklady Physical Chemistry (Translation of the physical chemistry section of Doklady Akademii Nauk); vol. 314; (1990); p. 683 - 686; Doklady Akademii Nauk SSSR; vol. 314; (1990); p. 201 - 205 ; (from Gmelin), View in Reaxys
-194600
25
Liquid
Charney, I.; Skinner, H. A.; Journal of the Chemical Society; (1953); p. 450 - 452, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
-150300
25
Gaseous
vol. P: MVol.C; 214, page 491 - 494, View in Reaxys; Rossini, F. D.; Wagman, D. D.; Evans, W. H.; Levine, S.; Jaffe, I.; Selected Values, 1952, S. 79, View in Reaxys; Rossini, F. D.; Wagman, D. D.; Evans, W. H.; Levine, S.; Jaffe, I.; Selected Values, 1952, S. 848 ; (from Gmelin), View in Reaxys
-172400
25
Gaseous
vol. P: MVol.C; 214, page 491 - 494, View in Reaxys; Rossini, F. D.; Wagman, D. D.; Evans, W. H.; Levine, S.; Jaffe, I.; Selected Values, 1952, S. 79, View in Reaxys; Rossini, F. D.; Wagman, D. D.; Evans, W. H.; Levine, S.; Jaffe, I.; Selected Values, 1952, S. 848 ; (from Gmelin), View in Reaxys
-188300
18
Liquid
vol. P: MVol.C; 214, page 491 - 494, View in Reaxys; Bichowsky, F. R.; Rossini, F. D.; The Thermochemistry of the chemical Substances, New York 1936, S. 221, View in Reaxys; Bichowsky, F. R.; Rossini, F. D.; The Thermochemistry of the chemical Substances, New York 1936, S. 39 ; (from Gmelin), View in Reaxys
-198800
25
Liquid
vol. P: MVol.C; 214, page 491 - 494, View in Reaxys; Rossini, F. D.; Wagman, D. D.; Evans, W. H.; Levine, S.; Jaffe, I.; Selected Values, 1952, S. 79, View in Reaxys; Rossini, F. D.; Wagman, D. D.; Evans, W. H.; Levine, S.; Jaffe, I.; Selected Values, 1952, S. 848 ; (from Gmelin), View in Reaxys
Enthalpy of Vaporization (3) Enthalpy of VaTemperature (Enporization thalpy of Vapori[Jmol-1] zation) [°C]
Pressure (Enthalpy of Vaporization) [Torr]
References
39762
760
Driel, M. van; Gerding, H.; Recueil des Travaux Chimiques des Pays-Bas; vol. 60; (1941); p. 943 - 946, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
173.3
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40616
172.8
760
Arii, K.; Kawabata, M.; Rikagaku Kenkyusho Iho; vol. 17; (1938); p. 299 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
40972
172.8
760
Arii, K.; Kawabata, M.; Rikagaku Kenkyusho Iho; vol. 17; (1938); p. 299 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
Further Information (3) Additional DeReferences scription Health protection
vol. P: MVol.B; 1.6, page 92 - 95 ; (from Gmelin), View in Reaxys
Health protection
Sax, N. I.; Handbook of dangerous Materials, New York 1951, p. 310. ; (from Gmelin), View in Reaxys
Health protection
Sax, N. I.; Handbook of dangerous Materials, New York 1951, p. 311. ; (from Gmelin), View in Reaxys
Heat Capacity Cp (3) Heat Capacity Cp Temperature [Jmol-1K-1] (Heat Capacity Cp) [°C]
112.9
30
Comment (Heat Capacity Cp)
References
Cp equation; Gaseous
Stolevik, Reidar; Acta Chemica Scandinavica; vol. 43; nb. 8; (1989); p. 758 - 762, View in Reaxys; Spencer, H. M.; Flannagan, G. M.; Journal of the American Chemical Society; vol. 64; (1942); p. 2511 2513 ; (from Gmelin), View in Reaxys
Liquid
Weissler, A.; Journal of the American Chemical Society; vol. 71; (1949); p. 1272 - 1274, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
Cp equation; Gaseous
vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
Interatomic Distances and Angles (5) Description Comment (Intera- References tomic Distances and Angles) Interatomic distances and angles
Empirical calcn. (phys. properties)
Interatomic distances and angles
Ganguly; Journal of the American Chemical Society; vol. 117; nb. 6; (1995); p. 1777 1782, View in Reaxys; Huggins, M. L.; Journal of the American Chemical Society; vol. 75; (1953); p. 4126 - 4133, View in Reaxys; vol. P: MVol.C; 161, page 368 - 370, View in Reaxys; Schomaker, V.; Stevenson, D. P.; Journal of the American Chemical Society; vol. 63; (1941); p. 37 - 40 ; (from Gmelin), View in Reaxys Misawa, M.; Fukunaga, T.; Suzuki, K.; Journal of Chemical Physics; vol. 92; nb. 9; (1990); p. 5486 - 5490, View in Reaxys; Kisliuk, P.; Journal of Chemical Physics; vol. 22.; (1954); p. 86 - 92, View in Reaxys; Bergmann, E.; Engel, L.; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 13; (1931); p. 232 - 246, View in Reaxys; Bergmann, E.; Engel, L.; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 13; (1931); p. 247 - 267, View in Reaxys; vol. P: MVol.C; 161, page 368 - 370, View in Reaxys; Swingle, S. M.; Allen, P. W., Sutton, L. E., Acta cryst. (Copenhagen) 3 (1950) 46/72, View in Reaxys; Bergmann, E.; Engel, L.; Phys. Z.; vol. 32; (1931); p. 507 - 509 ; (from Gmelin), View in Reaxys
Interatomic distances and angles
Electron Diffraction
Spiridonov, V. P.; Gershikov, A. G.; Journal of Molecular Structure; vol. 140; (1986); p. 173 - 192, View in Reaxys; Gregg, H. A.; Transactions of the Faraday Society; vol. 33; (1937); p. 852 - 874, View in Reaxys; Hassel, O.; Sandbo, A.; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 41; (1938); p. 75 - 85, View in Reaxys; vol. P: MVol.C; 161, page 368 - 370, View in Reaxys; Galy, Jean; Enjalbert, Renee; Journal of Solid State Chemistry; vol. 44; (1982); p. 1 23 ; (from Gmelin), View in Reaxys
Interatomic distances and angles
X-ray Diffraction
Galy, Jean; Enjalbert, Renee; Journal of Solid State Chemistry; vol. 44; (1982); p. 1 23 ; (from Gmelin), View in Reaxys
Interatomic distances and angles
Microwave Spectroscopy
Galy, Jean; Enjalbert, Renee; Journal of Solid State Chemistry; vol. 44; (1982); p. 1 23 ; (from Gmelin), View in Reaxys
Ionization Potential (4) Ionization Poten- Method (Ionizatial [eV] tion Potential)
Comment (Ioniza- References tion Potential)
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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9.33 - 9.37
Photoelectron Spectroscopy
Adiabatic ionization
Mazyar, Oleg A.; Baer, Tomas; Chemical Physics Letters; vol. 288; nb. 2-4; (1998); p. 327 - 332 ; (from Gmelin), View in Reaxys
10
Photoelectron Spectroscopy
Adiabatic ionization; higher ionization potentials available
Grodzicki, Michael; Walther, Horst; Elbel, Susanne; Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie; vol. 39; nb. 10; (1984); p. 1319 - 1330 ; (from Gmelin), View in Reaxys
9.99
Photoelectron Spectroscopy
Vertical ionization; Daamen, H.; Boxhoorn, G.; Oskam, A.; Inorganica Chimica Acta; higher ionization vol. 28; (1978); p. 263 - 270 ; (from Gmelin), View in Reaxys potentials available formation of ions described
Mathur, B. P.; Rothe, Erhard W.; Tang, S. Y.; Reck, Gene P.; Journal of Chemical Physics; vol. 65; (1976); p. 565 - 569 ; (from Gmelin), View in Reaxys
Mechanical Properties (2) Description (MeReferences chanical Properties) Molar volume
Sladkov, I. B.; Journal of Applied Chemistry USSR (English Translation); vol. 64; (1991); p. 2273 - 2275; Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation); vol. 64; (1991); p. 2432 - 2434, View in Reaxys; Shulyndin; Inorganic Materials; vol. 41; nb. 6; (2005); p. 666 - 672 ; (from Gmelin), View in Reaxys
Compressibility
Weissler, A.; Journal of the American Chemical Society; vol. 71; (1949); p. 1272 - 1274, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
Molecular Deformation (2) Description (MoReferences lecular Deformation) Force constants
Spiridonov, V. P.; Gershikov, A. G.; Journal of Molecular Structure; vol. 140; (1986); p. 173 - 192, View in Reaxys; Edwards, H. G. M.; Journal of Molecular Structure; vol. 156; (1987); p. 137 - 142, View in Reaxys; Ohwada, Ken; Suzuki, Kazuya; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 50; nb. 6; (1994); p. 1057 - 1064, View in Reaxys; Davis, P. W.; Oetjen, R. A.; J. mol. Spectroscopy; vol. 2; (1958); p. 253 - 258, View in Reaxys; Venkateswarlu, K.; Sundaram, S.; Proc. Phys. Soc., London, Sect. A; vol. 69; (1956); p. 180 - 183, View in Reaxys; vol. P: MVol.C; 162, page 370 - 372, View in Reaxys; Herzberg, G.; Infrared and Raman spectra of polyatomic molecules, New York-Toronto-London 1945, S. 177, View in Reaxys; Howard, J. B.; Wilson, E. B.; Journal of Chemical Physics; vol. 2; (1934); p. 630 - 634, View in Reaxys; Edwards, Howell G. M.; Fawcett, Victor; Inorganica Chimica Acta; vol. 197; (1992); p. 89 - 94, View in Reaxys; Kozulin, A. T.; Karmanov, V. I.; Theoretical and Experimental Chemistry; vol. 16; (1980); p. 83 - 87; Teoreticheskaya i Eksperimental'naya Khimiya; vol. 16; (1980); p. 97 102 ; (from Gmelin), View in Reaxys
Fundamental vibrations
Francois, F.; Delwaulle, M. L.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 46; (1949); p. 80 - 86, View in Reaxys; Burkard, O.; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 30; (1935); p. 298 - 304, View in Reaxys; Cabannes, J.; Rousset, A.; Ann. Phys. (Paris) (10); vol. 19; (1933); p. 229 - 303, View in Reaxys; Cabannes, J.; Rousset, A.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 194; (1932); p. 79 - 81, View in Reaxys; Daure, P.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 187; (1928); p. 940 - 941, View in Reaxys; Davis, P. W.; Oetjen, R. A.; J. molec. Spectroscopy; vol. 2; (1958); p. 253 - 258, View in Reaxys; Delwaulle, M.-L.; Bridoux, M.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 248; (1959); p. 1342 - 1344, View in Reaxys; Delwaulle, M.-L.; Francois, F.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 223; (1946); p. 796 - 798, View in Reaxys; Delwaulle, M.-L.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 222; (1946); p. 1391 - 1392, View in Reaxys; Delwaulle, M.-L.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 224; (1947); p. 389 - 391, View in Reaxys; Schilling, G.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 245; (1957); p. 2499 - 2502, View in Reaxys; vol. P: MVol.C; 163, page 372 - 375, View in Reaxys; Trumpy, B.; Zeitschrift fuer Physik; vol. 68; (1931); p. 675 - 682, View in Reaxys; Kozulin, A. T.; Karmanov, V. I.; Theoretical and Experimental Chemistry; vol. 16; (1980); p. 83 - 87; Teoreticheskaya i Eksperimental'naya Khimiya; vol. 16; (1980); p. 97 - 102, View in Reaxys; Daure, P.; Ann. Phys. (Paris) (10); vol. 12; (1929); p. 375 - 441 ; (from Gmelin), View in Reaxys
Other Thermochemical Data (1) Description (Oth- Comment (Other er Thermochemi- Thermochemical cal Data) Data)
References
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Entropy of vapori- molar entropy of zation vaporization = 89 J/(mol*K); 173 Deg C
Stoelevik, Reidar; Acta Chemica Scandinavica; vol. 43; nb. 9; (1989); p. 860 - 867 ; (from Gmelin), View in Reaxys
Solubility (MCS) (11) 1 of 11
Comment (Solubility (MCS))
sol. in CH2BrCO2H
Puri,J. K.; Kaur, Jaswinder; Sharma, Vijay; Miller, Jack M.; Polyhedron; vol. 2; (1983); p. 1287 - 1296 ; (from Gmelin), View in Reaxys 2 of 11
Comment (Solubility (MCS))
well sol. in SbBr3
Jander, C.; Weis, J.; Zeitschrift fuer Elektrochemie; vol. 61; (1957); p. 1275 - 1283, View in Reaxys; vol. P: MVol.C; 217, page 498 - 500 ; (from Gmelin), View in Reaxys 3 of 11
Comment (Solubility (MCS))
readily sol. in I2;
Fialkov, Ya. A.; Kuz'menko, A. A.; Zh. obshch. Khim.; vol. 19; (1949); p. 812 - 825; C.; (1949); p. E 4783, View in Reaxys; vol. P: MVol.C; 232, page 531 - 533 ; (from Gmelin), View in Reaxys 4 of 11
Temperature (Solubility (MCS)) [°C]
0
Solvent (Solubility (MCS))
liquid sulphur dioxide
Comment (Solubility (MCS))
Solubility: 1.1E1 weight-percent - 1.2E1 weight-percent
Shatenshtein, A. I.; Viktorov, M. M.; Acta physicochim. URSS (dtsch.); vol. 7; (1937); p. 883 - 898, View in Reaxys; Shatenshtein, A. I.; Viktorov, M. M.; Zh. fiz. Khim.; vol. 11; (1938); p. 18 - 27; C. II; (1939); p. 1843 ; (from Gmelin), View in Reaxys 5 of 11
Temperature (Solubility (MCS)) [°C]
25
Solvent (Solubility (MCS))
liquid sulphur dioxide
Comment (Solubility (MCS))
Solubility: 1.9E1 weight-percent - 2.0E1 weight-percent
Shatenshtein, A. I.; Viktorov, M. M.; Acta physicochim. URSS (dtsch.); vol. 7; (1937); p. 883 - 898, View in Reaxys; Shatenshtein, A. I.; Viktorov, M. M.; Zh. fiz. Khim.; vol. 11; (1938); p. 18 - 27; C. II; (1939); p. 1843 ; (from Gmelin), View in Reaxys 6 of 11
Solvent (Solubility (MCS))
sulfur dioxide
Comment (Solubility (MCS))
Solubility: 1.2E1 weight-percent
Satenshtein, A. I.; Viktorov, M. M.; Acta physicokhim. URSS; vol. 7; (1937); p. 883 - 898, View in Reaxys; Walden, P.; Centnerszwer, A.; Teletow, I.; Z. phys. Ch.; vol. 43; (1903); p. 385 - 464, View in Reaxys; vol. S: MVol.B1; 143, page 310 - 315, View in Reaxys; Behne, W.; Diss. Greifswald 1945 laut Jander, G., Die Grundlagen der Chemie in fluessigem Schwefeldioxyd in: Naturw. 26 (1938) 264/73 ; (from Gmelin), View in Reaxys 7 of 11
Solvent (Solubility (MCS))
sulfur dioxide
Comment (Solubility (MCS))
Solubility: 2.0E1 weight-percent
Satenshtein, A. I.; Viktorov, M. M.; Acta physicokhim. URSS; vol. 7; (1937); p. 883 - 898, View in Reaxys; Walden, P.; Centnerszwer, A.; Teletow, I.; Z. phys. Ch.; vol. 43; (1903); p. 385 - 464, View in Reaxys; vol. S: MVol.B1; 143, page 310 - 315, View in Reaxys; Behne, W.; Diss. Greifswald 1945 laut Jander, G., Die Grundlagen der Chemie in fluessigem Schwefeldioxyd in: Naturw. 26 (1938) 264/73 ; (from Gmelin), View in Reaxys 8 of 11
Comment (Solubility (MCS))
soluble in acetone, CHCl3, C6H6 and CS2;
Christomanos, A. C.; Z. Anorg. Chem.; vol. 41; (1904); p. 280 - 290, View in Reaxys; vol. P: MVol.C; 216, page 496 - 498 ; (from Gmelin), View in Reaxys
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9 of 11
Comment (Solubility (MCS))
soluble in AsCl3;
Walden, P.; Z. phys. Ch.; vol. 43; (1903); p. 383 - 464, View in Reaxys; vol. As: MVol.; 143, page 379 - 381 ; (from Gmelin), View in Reaxys 10 of 11
Solvent (Solubility (MCS))
sulfur dioxide
Comment (Solubility (MCS))
Solubility: 1.1E1 weight-percent - 1.2E1 weight-percent
vol. P: MVol.C; 217, page 498 - 500 ; (from Gmelin), View in Reaxys 11 of 11
Solvent (Solubility (MCS))
sulfur dioxide
Comment (Solubility (MCS))
Solubility: 1.9E1 weight-percent - 2.0E1 weight-percent
vol. P: MVol.C; 217, page 498 - 500 ; (from Gmelin), View in Reaxys Space Group (1) Comment (Space Group)
References
atomic positions available
Misawa, M.; Fukunaga, T.; Suzuki, K.; Journal of Chemical Physics; vol. 92; nb. 9; (1990); p. 5486 - 5490 ; (from Gmelin), View in Reaxys
Surface Tension (21) Surface Tension Temperature [g·s-2] (Surface Tension) [°C]
References
35.8 - 37.8
75
Joliet, J.-F.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 236; (1953); p. 1259 - 1261, View in Reaxys; vol. P: MVol.C; 214, page 491 494 ; (from Gmelin), View in Reaxys
37.16
59.5
Vogel, A. I.; Journal of the Chemical Society; (1948); p. 1833 - 1855, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
43.29
15.6
Vogel, A. I.; Journal of the Chemical Society; (1948); p. 1833 - 1855, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
37.1
72
Sugden, S.; Reed, J. B.; Wilkins, H.; Journal of the Chemical Society; vol. 127; (1925); p. 1525 - 1540, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
38.4
59.5
Sugden, S.; Reed, J. B.; Wilkins, H.; Journal of the Chemical Society; vol. 127; (1925); p. 1525 - 1540, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
44.1
33
Sugden, S.; Reed, J. B.; Wilkins, H.; Journal of the Chemical Society; vol. 127; (1925); p. 1525 - 1540, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
45.8
25
Sugden, S.; Reed, J. B.; Wilkins, H.; Journal of the Chemical Society; vol. 127; (1925); p. 1525 - 1540, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
26.3
170
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
28.4
154
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
30.4
140
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
32.6
125
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl.
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Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys 33.8
116
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
36
99.8
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
37
90
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
38.9
75.7
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
40.1
64.8
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
41.3
50.3
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
42.3
35.3
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
43.2
20.8
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
44.7
0
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
45.8
-20
Jaeger, F. M.; Kahn, J.; Proc. Kon. Nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis- en naturrk. Afd. Kon. Nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
Vapour Pressure (2) Comment (VaReferences pour Pressure) vapor pressure di- Dudchik, G. P.; Polyachenok, O. G.; Russian Journal of Inorganic Chemistry (Translation of Zhurnal Neoagram rganicheskoi Khimii); vol. 24; (1979); p. 360 - 362; Zhurnal Neorganicheskoi Khimii; vol. 24; (1979); p. 646 650 ; (from Gmelin), View in Reaxys vapor pressure equation
Arii, K.; Kawabata, M.; Rikagaku Kenkyusho Iho; vol. 17; (1938); p. 299 - 308, View in Reaxys; vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys
NMR Spectroscopy (14) 1 of 14
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
31P
Frequency (NMR Spectroscopy) [MHz]
121.5
Location
supporting information
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Wolff, Alexander; Pallmann, Julia; Brunner, Eike; Doert, Thomas; Ruck, Michael; Zeitschrift fur Anorganische und Allgemeine Chemie; vol. 643; nb. 1; (2017); p. 20 - 24, View in Reaxys 2 of 14
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
31P
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
26.84
Frequency (NMR Spectroscopy) [MHz]
101.2
Original Text (NMR Spectroscopy)
31P{1H} NMR (CDCl3, 300 K): δ = 227 ppm.
Mourgas, Georgios; Tiritiris, Ioannis; Nieger, Martin; Gudat, Dietrich; Zeitschrift fur Anorganische und Allgemeine Chemie; vol. 639; nb. 3-4; (2013); p. 517 - 523, View in Reaxys 3 of 14
Nucleus (NMR Spectroscopy)
31P
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
22.84
Comment (NMR Spectroscopy)
Signals given
Boshaala, Ahmed M. A.; Simpson, Stephen J.; Autschbach, Jochen; Zheng, Shaohui; Inorganic Chemistry; vol. 47; nb. 20; (2008); p. 9279 - 9292 ; (from Gmelin), View in Reaxys 4 of 14
Nucleus (NMR Spectroscopy)
31P
Solvents (NMR Spectro- tetrahydrofuran scopy) Comment (NMR Spectroscopy)
Signals given
Brunet, Jean-Jacques; Diallo, Ousmane; Roblou, Emmanuel; Organometallics; vol. 22; nb. 9; (2003); p. 1796 1798 ; (from Gmelin), View in Reaxys 5 of 14
Nucleus (NMR Spectroscopy)
31P
Solvents (NMR Spectro- CS2 scopy) Comment (NMR Spectroscopy)
Signals given
Tattershall, Bruce W.; Kendall, Nigel L.; Polyhedron; vol. 13; (1994); p. 1517 - 1522 ; (from Gmelin), View in Reaxys 6 of 14
Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)
31P
Solvents (NMR Spectro- (CD3)2CO=acetone-d6 scopy) Temperature (NMR Spectroscopy) [°C]
-70.15
Buckingham, Malcolm J.; Hawkes, Geoffrey E.; Ismail, Ismail M.; Sadler, Peter J.; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); (1982); p. 1167 - 1168 ; (from Gmelin), View in Reaxys
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7 of 14
Nucleus (NMR Spectroscopy)
31P
Solvents (NMR Spectro- not given scopy) Comment (NMR Spectroscopy)
Signals given
Wazer, J. R. van; Callis, C. F.; Shoolery, J. N.; Jones, R. C.; Journal of the American Chemical Society; vol. 78; (1956); p. 5715 - 5726, View in Reaxys; vol. P: MVol.C; 160, page 366 - 368, View in Reaxys; Vengel'nikova, V. N.; Timokhin, B. V.; Kalabina, A. V.; Donskikh, V. I.; Journal of General Chemistry USSR (English Translation); vol. 52; (1982); p. 1160 - 1163; Zhurnal Obshchei Khimii; vol. 52; (1982); p. 1318 - 1322 ; (from Gmelin), View in Reaxys 8 of 14
Nucleus (NMR Spectroscopy)
31P
Solvents (NMR Spectro- CS2 scopy) Temperature (NMR Spectroscopy) [°C]
34.05
Comment (NMR Spectroscopy)
Signals given
Dillon, Keith B.; Platt, Andrew W. G.; Waddington, Thomas C.; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); (1980); p. 1036 - 1041 ; (from Gmelin), View in Reaxys 9 of 14
Nucleus (NMR Spectroscopy)
31P
Solvents (NMR Spectro- methylene chloride=methylene dichloride scopy) Temperature (NMR Spectroscopy) [°C]
34.05
Comment (NMR Spectroscopy)
Signals given
Dillon, Keith B.; Platt, Andrew W. G.; Waddington, Thomas C.; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); (1980); p. 1036 - 1041 ; (from Gmelin), View in Reaxys 10 of 14
Nucleus (NMR Spectroscopy)
31P
Solvents (NMR Spectro- nitrobenzene scopy) Temperature (NMR Spectroscopy) [°C]
34.05
Comment (NMR Spectroscopy)
Signals given
Dillon, Keith B.; Platt, Andrew W. G.; Waddington, Thomas C.; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); (1980); p. 1036 - 1041 ; (from Gmelin), View in Reaxys 11 of 14
Nucleus (NMR Spectroscopy)
31P
Solvents (NMR Spectro- acetonitrile scopy) Temperature (NMR Spectroscopy) [°C]
34.05
Comment (NMR Spectroscopy)
Signals given
Dillon, Keith B.; Platt, Andrew W. G.; Waddington, Thomas C.; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); (1980); p. 1036 - 1041 ; (from Gmelin), View in Reaxys 12 of 14
Nucleus (NMR Spectroscopy)
31P
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Solvents (NMR Spectro- not given scopy) Comment (NMR Spectroscopy)
Signals given
Gutowsky; McCall; Journal of Chemical Physics; vol. 22; (1954); p. 162, View in Reaxys; Muller, N.; Lauterbur, P. C.; Goldenson, J.; Journal of the American Chemical Society; vol. 78; (1956); p. 3557 - 3561, View in Reaxys; Parks, J. R.; Journal of the American Chemical Society; vol. 79; (1957); p. 757 - 757 ; (from Gmelin), View in Reaxys 13 of 14
Nucleus (NMR Spectroscopy)
81Br
Solvents (NMR Spectro- H2O scopy) Comment (NMR Spectroscopy)
Signals given
Dickinson, W. C.; Physical Review; vol. 81; (1951); p. 717 - 731 ; (from Gmelin), View in Reaxys 14 of 14
Nucleus (NMR Spectroscopy)
81Br
Solvents (NMR Spectro- water scopy) Comment (NMR Spectroscopy)
Signals given
vol. P: MVol.C; 160, page 366 - 368 ; (from Gmelin), View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent, gas phase)
Comment (IR Spectroscopy)
108 cm**-1 - 396 cm**-1
Kozulin, A. T.; Karmanov, V. I.; Theoretical and Experimental Chemistry; vol. 16; (1980); p. 83 - 87; Teoreticheskaya i Eksperimental'naya Khimiya; vol. 16; (1980); p. 97 - 102 ; (from Gmelin), View in Reaxys UV/VIS Spectroscopy (2) 1 of 2
Solvent (UV/VIS Spectroscopy)
gas
Comment (UV/VIS Spectroscopy)
249.5 nm - 269.5 nm
Jan-Khan, M.; Samuel, R.; Proceedings of the Physical Society, London; vol. 48; (1936); p. 626 - 641 ; (from Gmelin), View in Reaxys 2 of 2
Solvent (UV/VIS Spectroscopy)
neat (no solvent, gas phase)
Comment (UV/VIS Spectroscopy)
249.5 nm - 269.5 nm
vol. P: MVol.C; 214, page 491 - 494 ; (from Gmelin), View in Reaxys NQR Spectroscopy (3) Description (NQR Nucleus (NQR Spectroscopy) Spectroscopy)
Comment (NQR Spectroscopy)
References
Nuclear quadrupole coupling constants
81Br
Robinson, H.; Dehmelt, H. G.; Gordy, W.; Journal of Chemical Physics; vol. 22; (1954); p. 511 - 515, View in Reaxys; vol. P: MVol.C; 159, page 363 - 366 ; (from Gmelin), View in Reaxys
Nuclear quadrupole coupling constants
79Br
Robinson, H.; Dehmelt, H. G.; Gordy, W.; Journal of Chemical Physics; vol. 22; (1954); p. 511 - 515, View in Reaxys; vol. P: MVol.C; 159, page 363 - 366 ; (from Gmelin), View in Reaxys
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not given
Nuclear quadrupole resonance
Kojima et al.; Journal of Chemical Physics; vol. 21; (1953); p. 1415, View in Reaxys; vol. P: MVol.C; 159, page 363 - 366 ; (from Gmelin), View in Reaxys
Rotational Spectroscopy (1) Description (Rota- References tional Spectroscopy) Microwave spectrum
Williams, Q.; Gordy, W.; Physical Review; vol. 79; (1950); p. 225 - 225, View in Reaxys; vol. P: MVol.C; 161, page 368 - 370 ; (from Gmelin), View in Reaxys
Raman Spectroscopy (2) Description (Ram- References an Spectroscopy) Spectrum
Wolff, Alexander; Pallmann, Julia; Brunner, Eike; Doert, Thomas; Ruck, Michael; Zeitschrift fur Anorganische und Allgemeine Chemie; vol. 643; nb. 1; (2017); p. 20 - 24, View in Reaxys
Raman
Burkard, O.; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 30; (1935); p. 298 - 304, View in Reaxys; Cabannes, J.; Rousset, A.; Ann. Phys. (Paris) (10); vol. 19; (1933); p. 229 - 303, View in Reaxys; Cabannes, J.; Rousset, A.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 194; (1932); p. 79 - 81, View in Reaxys; Daure, P.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 187; (1928); p. 940 - 941, View in Reaxys; vol. P: MVol.C; 163, page 372 - 375, View in Reaxys; Trumpy, B.; Zeitschrift fuer Physik; vol. 68; (1931); p. 675 - 682, View in Reaxys; Mikov, S. N.; Kozulin, A. T.; Journal of Applied Spectroscopy; vol. 47; (1987); p. 1140 - 1143; Zhurnal Prikladnoi Spektroskopii; vol. 47; (1987); p. 765 - 768, View in Reaxys; Daure, P.; Ann. Phys. (Paris) (10); vol. 12; (1929); p. 375 - 441 ; (from Gmelin), View in Reaxys
Luminescence Spectroscopy (1) Description (LuReferences minescence Spectroscopy) X-ray emission spectrum
Dolenko, G. N.; Journal of Molecular Structure; vol. 291; nb. 1; (1993); p. 23 - 58 ; (from Gmelin), View in Reaxys
Fluorescence Spectroscopy (1) Description (Fluo- References rescence Spectroscopy) Fluorescence
Bramwell, M. J.; Hughes, C.; Jaeger, S. E.; Whitehead, J. C.; Chemical Physics; vol. 183; (1994); p. 127 134 ; (from Gmelin), View in Reaxys
Other Spectroscopic Methods (1) Description (Oth- References er Spectroscopic Methods) Photoelectron spectrum
Use (18) Laboratory Use and Handling
Grodzicki, Michael; Walther, Horst; Elbel, Susanne; Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie; vol. 39; nb. 10; (1984); p. 1319 - 1330, View in Reaxys; Boyle, Kenneth J.; Jarvis, Gary K.; Tuckett, Richard P.; Journal of the Chemical Society - Faraday Transactions; vol. 94; nb. 8; (1998); p. 1045 - 1050, View in Reaxys; Daamen, H.; Boxhoorn, G.; Oskam, A.; Inorganica Chimica Acta; vol. 28; (1978); p. 263 - 270 ; (from Gmelin), View in Reaxys Use Pattern
References
halogenating agent
Patent; SUMITOMO CHEMICAL COMPANY, LIMITED; WO2009/14267; (2009); (A2) English, View in Reaxys
Brominating Patent; LUPIN LTD; US2005/245738; (2005); (A1) English, View in Reaxys agent in synthesis of highly pure cefdinir Brominating agent moisture sensitive
Patent; BOEHRINGER INGELHEIM PHARMA GMBH and CO. KG; DAHMANN, Georg; WO2004/56784; (2004); (A1) German, View in Reaxys Aubauer, Christoph; Engelhardt, Guenter; Klapoetke, Thomas M.; Noeth, Heinrich; Schulz, Axel; Warchhold, Marcus; European Journal of Inorganic Chemistry; nb. 10; (2000); p. 2245 - 2253 ; (from Gmelin), View in Reaxys
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readily decomp. at room temp.
Dillon, Keith B.; Platt, Andrew W. G.; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); (1982); p. 1199 - 1204 ; (from Gmelin), View in Reaxys
handling described
Weisert, E. D.; Corrosion (Houston); vol. 13; (1957); p. 659 - 671, View in Reaxys; vol. P: MVol.C; 215, page 494 - 496 ; (from Gmelin), View in Reaxys
stable against Te;
Montignie, E.; Bull. Soc. chim. France (5); vol. 15; (1948); p. 180 - 181, View in Reaxys; vol. P: MVol.C; 215, page 494 - 496 ; (from Gmelin), View in Reaxys
explosion in mixture with Na or K on impact;
vol. P: MVol.C; 216, page 496 - 498, View in Reaxys; Cueilleron, J.; Bull. Soc. chim. France (5); vol. 12; (1945); p. 88 - 89 ; (from Gmelin), View in Reaxys
information on use
Dufraisse, C.; Horcloi, R.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 192; (1931); p. 564 - 566, View in Reaxys; vol. P: MVol.C; 215, page 494 - 496 ; (from Gmelin), View in Reaxys
not inflammable;
Christomanos, A. C.; Z. Anorg. Chem.; vol. 41; (1904); p. 276 - 290, View in Reaxys; vol. P: MVol.C; 215, page 494 - 496 ; (from Gmelin), View in Reaxys
stable against O2 in the cold;
Christomanos, A. C.; Z. Anorg. Chem.; vol. 41; (1904); p. 276 - 290, View in Reaxys; vol. P: MVol.C; 215, page 494 - 496 ; (from Gmelin), View in Reaxys
decomposition with aq. saturated soln. of HBr;
Damoiseau, A.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 91; (1880); p. 883 - 886, View in Reaxys; vol. P: MVol.C; 215, page 494 496 ; (from Gmelin), View in Reaxys
decompn. with Cl2;
Gladstone, J. H.; Philosophical Magazine (1798-1977); vol. 35; (1849); p. 345 - 355, View in Reaxys; Gladstone, J. H.; Journal fuer Praktische Chemie (Leipzig); vol. 49; (1850); p. 40 - 51, View in Reaxys; vol. P: MVol.C; 159, page 363 - 366 ; (from Gmelin), View in Reaxys
unstable against gaseous NH3 forming a white powder;
Rose, H.; Ann. Phys. Chem. (2); vol. 28; (1833); p. 529 - 550, View in Reaxys; vol. P: MVol.C; 215, page 494 - 496 ; (from Gmelin), View in Reaxys
fumes in contact with air;
Balard, A.-J.; Ann. Chim. Phys.; vol. 32; (1826); p. 337 - 381, View in Reaxys; vol. P: MVol.C; 215, page 494 - 496, View in Reaxys; Gay, J. F.; Maxson, R. N.; Fernelius, W. C., Inorganic Syntheses, Bd. 2, New York-London 1946, S. 147/51 ; (from Gmelin), View in Reaxys
slow decomposition with H2O at 8°C while shaking, becomes vigorous at 25°C;
vol. P: MVol.C; 215, page 494 - 496, View in Reaxys; Loewig, C.; Das Brom und seine chemischen Verhaeltnisse, Heidelberg 1829, S. 1/174 ; (from Gmelin), View in Reaxys
formation of light green compounds on heating with Cu2Cl2 or Cu2Br2 at 100°C in a sealed tube;
vol. P: MVol.C; 216, page 496 - 498, View in Reaxys; Wolf, L.; Diss. Berlin T. H. 1915, S. 1/40 ; (from Gmelin), View in Reaxys
stable when shaking with AgBr at 100°C;
vol. P: MVol.C; 216, page 496 - 498, View in Reaxys; Wolf, L.; Diss. Berlin T. H. 1915, S. 1/40 ; (from Gmelin), View in Reaxys
Quantum Chemical Calculations (25) Calculated Prop- Method (Quantum References erties Chemical Calculations) Population analysis, charge distribution; Dipole moment, dipole moment derivative
Electron correlation and CI calcn.
Scheiner, Steve; Chemical Physics; vol. 387; nb. 1-3; (2011); p. 79 - 84 ; (from Gmelin), View in Reaxys
Atom distances, angles; Population analysis,
Electron correlation and CI calcn.
Raabe, Ines; Roehr, Caroline; Krossing, Ingo; Dalton Transactions; nb. 46; (2007); p. 5376 - 5386 ; (from Gmelin), View in Reaxys
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charge distribution Atom distances, angles
Electron correlation and CI calcn.
See, Ronald F.; Baker, Thomas A.; Kahler, Pamela; Inorganic Chemistry; vol. 44; nb. 14; (2005); p. 4961 - 4968 ; (from Gmelin), View in Reaxys
NMR shifts, signals, intensities, transition moments
Ab initio calcns. Patchkovskii, Serguei; Ziegler, Tom; Journal of Physical Chemistry A; vol. 106; nb. 6; (LCAO, GO SCF, (2002); p. 1088 - 1099 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)
Atom distances, angles; Population analysis, charge distribution; Vibrational constants; Rotational constants
Ab initio calcns. Heil, Terry E.; Check, Catherine E.; Lobring, Kim C.; Sunderlin, Lee S.; Journal of (LCAO, GO SCF, Physical Chemistry A; vol. 106; nb. 42; (2002); p. 10043 - 10048 ; (from Gmelin), DIM, SAMO, X-al- View in Reaxys pha, HartreeFock)
Atom distances, angles; Population analysis, charge distribution; Electronegativity; Force constant
Ab initio calcns. Atanasov; Reinen; Journal of Physical Chemistry A; vol. 105; nb. 22; (2001); p. 5450 (LCAO, GO SCF, 5467 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)
Atom distances, angles
Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)
Transition energies
Other semi-empir- Cavell, Ronald G.; Juergensen, Astrid; Journal of Electron Spectroscopy and Related ical calcns. Phenomena; vol. 101-103; (1999); p. 125 - 129 ; (from Gmelin), View in Reaxys (Hueckel, PPP)
Atom distances, angles; Dipole moment, dipole moment derivative; IR bands, intensities, transition moments
Electron correlation and CI calcn.
Timoshkin, Alexey Y.; Suvorov, Andrew V.; Bettinger, Holger F.; Schaefer III, Henry F.; Journal of the American Chemical Society; vol. 121; nb. 24; (1999); p. 5687 - 5699 ; (from Gmelin), View in Reaxys
Atom distances, angles; Dipole moment, dipole moment derivative; IR bands, intensities, transition moments
Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)
Timoshkin; Suvorov; Shaefer III; Russian Journal of General Chemistry; vol. 69; nb. 4; (1999); p. 544 - 550, View in Reaxys; Timoshkin, Alexey Y.; Suvorov, Andrew V.; Bettinger, Holger F.; Schaefer III, Henry F.; Journal of the American Chemical Society; vol. 121; nb. 24; (1999); p. 5687 - 5699 ; (from Gmelin), View in Reaxys
Atom distances, angles; Ionization potential, orbital energy
Electron correlation and CI calcn.
Mazyar, Oleg A.; Baer, Tomas; Chemical Physics Letters; vol. 288; nb. 2-4; (1998); p. 327 - 332 ; (from Gmelin), View in Reaxys
Aubauer, Christoph; Engelhardt, Guenter; Klapoetke, Thomas M.; Noeth, Heinrich; Schulz, Axel; Warchhold, Marcus; European Journal of Inorganic Chemistry; nb. 10; (2000); p. 2245 - 2253, View in Reaxys; See; Dutoi; McConnell; Naylor; Journal of the American Chemical Society; vol. 123; nb. 12; (2001); p. 2839 - 2848 ; (from Gmelin), View in Reaxys
Ionization poten- Ab initio calcns. Mazyar, Oleg A.; Baer, Tomas; Chemical Physics Letters; vol. 288; nb. 2-4; (1998); p. tial, orbital energy (LCAO, GO SCF, 327 - 332 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock) Molecular orbitals; Electronic energy levels; Ionization potential, orbital energy; Vibrational constants
Ab initio calcns. Creve, Steven; Nguyen, Minh Tho; Journal of Physical Chemistry A; vol. 102; nb. 32; (LCAO, GO SCF, (1998); p. 6549 - 6557 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)
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Vibrational constants
Electron correlation and CI calcn.
Creve, Steven; Nguyen, Minh Tho; Journal of Physical Chemistry A; vol. 102; nb. 32; (1998); p. 6549 - 6557 ; (from Gmelin), View in Reaxys
Fine/ hyper fine coupling constants
Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)
Lobayan, R. M.; Aucar, G. A.; Journal of Molecular Structure; vol. 452; (1998); p. 1 12 ; (from Gmelin), View in Reaxys
Atom distances, angles; Molecular orbitals; Electron distribution
Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)
Timokhin; Golubin; Ratovskii; Safronov; Ignat'ev; Russian Journal of General Chemistry; vol. 66; nb. 2; (1996); p. 278 - 284 ; (from Gmelin), View in Reaxys
Polarizability, polarizability derivatives; Rotational constants
Electron correlation and CI calcn.
Stoecklin, T.; Clary, D. C.; Journal of Molecular Structure; vol. 341; (1995); p. 53 - 62 ; (from Gmelin), View in Reaxys
Electronegativity
Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)
Datta, Dipankar; Inorganic Chemistry; vol. 31; (1992); p. 2797 - 2800 ; (from Gmelin), View in Reaxys
Electronic energy levels; Atom distances, angles
Ab initio calcns. Novak, Igor; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 68; nb. 1-4; (LCAO, GO SCF, (1992); p. 15 - 24 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)
Ionization potential, orbital energy; Dipole moment, dipole moment derivative; Atom distances, angles
Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)
Equilibrium internuclear distance; Atom distances, angles; Electronic energy levels; Excited states; Vibrational constants
Ab initio calcns. Clotet, A.; Rubio, J.; Illas, F.; Journal of Molecular Structure; vol. 164; (1988); p. 351 (LCAO, GO SCF, 362 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)
Dewar, Michael J. S.; Jie, Caoxian; Journal of Molecular Structure; vol. 187; (1989); p. 1 - 14 ; (from Gmelin), View in Reaxys
Ionization poten- Other semi-empir- El-Issa, Basheer D.; Zanati, Huda M.; Journal of the Chemical Society, Faraday Transtial, orbital energy ical calcns. actions 2: Molecular and Chemical Physics; vol. 82; (1986); p. 93 - 100 ; (from Gmelin), (Hueckel, PPP) View in Reaxys Ionization potential, orbital energy; Molecular orbitals
Other semi-empir- Min Xin; Lue-Yung Chow Chiu; Li, Du; Pan, Yuh-Kang; Journal of Electron Spectroical calcns. scopy and Related Phenomena; vol. 33; (1984); p. 93 - 106 ; (from Gmelin), (Hueckel, PPP) View in Reaxys
Electronic energy levels; Molecular orbitals
Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)
Kharabaev, N. N.; Breus, S. F.; Kogan, V. A.; Osipov, O. A.; Sov. J. Coord. Chem. (Engl. Transl.); vol. 9; (1983); p. 194 - 196; Koordinatsionnaya Khimiya; vol. 9; (1983); p. 322 - 325 ; (from Gmelin), View in Reaxys
Dipole moment, dipole moment derivative
further quantum chemical calcns.
vol. P: MVol.C; 159, page 363 - 366, View in Reaxys; Murayama, N.; Proc. Imp. Acad. (tokyo); vol. 20; (1944); p. 93 - 99 ; (from Gmelin), View in Reaxys
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