Cas no 446255-12-5 (BENZENE, 1,2,3,5-TETRABROMO-4-(3,5-DIBROMOPHENOXY)-)
446255-12-5 structure
Product Name:BENZENE, 1,2,3,5-TETRABROMO-4-(3,5-DIBROMOPHENOXY)-
CAS No:446255-12-5
MF:C12H4Br6O
MW:643.583559036255
CID:3365504
PubChem ID:86208466
Update Time:2025-04-21
BENZENE, 1,2,3,5-TETRABROMO-4-(3,5-DIBROMOPHENOXY)- Chemical and Physical Properties
Names and Identifiers
-
- BENZENE, 1,2,3,5-TETRABROMO-4-(3,5-DIBROMOPHENOXY)-
- PBDE 161
- 7C88KN2Z9G
- 446255-12-5
- BDE-161
- Q27268056
- UNII-7C88KN2Z9G
- DTXSID50879960
- 2,3,3',4,5',6-Hexabromodiphenyl ether
-
- Inchi： 1S/C12H4Br6O/c13-5-1-6(14)3-7(2-5)19-12-9(16)4-8(15)10(17)11(12)18/h1-4H
- InChI Key： WEYWRBBPPKSRGU-UHFFFAOYSA-N
- SMILES： C1(Br)=CC(Br)=C(OC2=CC(Br)=CC(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: 294
- 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, 1,2,3,5-TETRABROMO-4-(3,5-DIBROMOPHENOXY)- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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