Cas no 446254-88-2 (BENZENE, 1,2,3-TRIBROMO-4-(2,3,5-TRIBROMOPHENOXY)-)
446254-88-2 structure
Product Name:BENZENE, 1,2,3-TRIBROMO-4-(2,3,5-TRIBROMOPHENOXY)-
CAS No:446254-88-2
MF:C12H4Br6O
MW:643.583559036255
CID:3365521
PubChem ID:22833472
Update Time:2025-04-21
BENZENE, 1,2,3-TRIBROMO-4-(2,3,5-TRIBROMOPHENOXY)- Chemical and Physical Properties
Names and Identifiers
-
- BENZENE, 1,2,3-TRIBROMO-4-(2,3,5-TRIBROMOPHENOXY)-
- PBDE 130
- 2,2',3,3',4,5'-Hexabromodiphenyl ether
- UNII-43RJL1RVQF
- 43RJL1RVQF
- DTXSID70881106
- 446254-88-2
- YURCHLXPAGSJHU-UHFFFAOYSA-N
- Q27258665
- NS00059352
- 1,2,3-Tribromo-4-(2,3,5-tribromophenoxy)benzene
-
- Inchi： 1S/C12H4Br6O/c13-5-3-7(15)10(16)9(4-5)19-8-2-1-6(14)11(17)12(8)18/h1-4H
- InChI Key： YURCHLXPAGSJHU-UHFFFAOYSA-N
- SMILES： C1(Br)=CC=C(OC2=CC(Br)=CC(Br)=C2Br)C(Br)=C1Br
Computed Properties
- Exact Mass: 643.53009Da
- Monoisotopic Mass: 637.53624Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 304
- 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: 7.6
- Topological Polar Surface Area: 9.2?2
BENZENE, 1,2,3-TRIBROMO-4-(2,3,5-TRIBROMOPHENOXY)- Related Literature
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1. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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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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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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