Cas no 446255-08-9 (BENZENE, 1,2,3-TRIBROMO-4-(3,4,5-TRIBROMOPHENOXY)-)
446255-08-9 structure
Product Name:BENZENE, 1,2,3-TRIBROMO-4-(3,4,5-TRIBROMOPHENOXY)-
CAS No:446255-08-9
MF:C12H4Br6O
MW:643.583559036255
CID:3365525
PubChem ID:86208462
Update Time:2025-04-21
BENZENE, 1,2,3-TRIBROMO-4-(3,4,5-TRIBROMOPHENOXY)- Chemical and Physical Properties
Names and Identifiers
-
- BENZENE, 1,2,3-TRIBROMO-4-(3,4,5-TRIBROMOPHENOXY)-
- Q27254759
- 446255-08-9
- UNII-2HQ1R3H4PE
- PBDE 157
- 2HQ1R3H4PE
- BDE-157
- DTXSID60879956
- 2,3,3',4,4',5'-Hexabromodiphenyl ether
-
- Inchi： 1S/C12H4Br6O/c13-6-1-2-9(12(18)11(6)17)19-5-3-7(14)10(16)8(15)4-5/h1-4H
- InChI Key： JUOAMVUIJQJZSZ-UHFFFAOYSA-N
- SMILES： C1(Br)=CC=C(OC2=CC(Br)=C(Br)C(Br)=C2)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: 292
- 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-(3,4,5-TRIBROMOPHENOXY)- Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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