Cas no 13075-03-1 (Benzene, 1,2,3,4-tetrabromo-5,6-dichloro-)
13075-03-1 structure
Product Name:Benzene, 1,2,3,4-tetrabromo-5,6-dichloro-
CAS No:13075-03-1
MF:C6Br4Cl2
MW:462.586196899414
CID:1226705
PubChem ID:4162868
Update Time:2025-04-20
Benzene, 1,2,3,4-tetrabromo-5,6-dichloro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,2,3,4-tetrabromo-5,6-dichloro-
- 1,2,3,4-tetrabromo-5,6-dichlorobenzene
- DTXSID901282282
- tetrabromod ichlorobenzene
- AKOS024427568
- SCHEMBL7189612
- 13075-03-1
-
- Inchi： 1S/C6Br4Cl2/c7-1-2(8)4(10)6(12)5(11)3(1)9
- InChI Key： YYFANMZCDXZWRE-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C(=C(C=1Br)Br)Cl)Cl)Br
Computed Properties
- Exact Mass: 457.611
- Monoisotopic Mass: 457.61106g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 150
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.9
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, 1,2,3,4-tetrabromo-5,6-dichloro- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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