Cas no 446255-46-5 (2,2',3,3',4,5,6,6'-Octabromodiphenyl ether)
446255-46-5 structure
Product Name:2,2',3,3',4,5,6,6'-Octabromodiphenyl ether
CAS No:446255-46-5
MF:C12H2Br8O
MW:801.375677585602
CID:2850281
PubChem ID:72941821
Update Time:2025-04-21
2,2',3,3',4,5,6,6'-Octabromodiphenyl ether Chemical and Physical Properties
Names and Identifiers
-
- BDE 200
- UNII-D84K988WPJ
- Q27276234
- D84K988WPJ
- DTXSID30879983
- Pentabromo(2,3,6-tribromophenoxy)-benzene
- Benzene, pentabromo(2,3,6-tribromophenoxy)-
- PBDE 200
- 446255-46-5
- 2,2',3,3',4,5,6,6'-Octabromodiphenyl ether
- BDE-200
- Benzene, 1,2,3,4,5-pentabromo-6-(2,3,6-tribromophenoxy)-
-
- Inchi： 1S/C12H2Br8O/c13-3-1-2-4(14)11(5(3)15)21-12-9(19)7(17)6(16)8(18)10(12)20/h1-2H
- InChI Key： JWMXGEPFVCRXQR-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C(=C(C=1OC1C(=CC=C(C=1Br)Br)Br)Br)Br)Br)Br
Computed Properties
- Exact Mass: 801.34907Da
- Monoisotopic Mass: 793.35727Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 342
- 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: 9
- Topological Polar Surface Area: 9.2?2
2,2',3,3',4,5,6,6'-Octabromodiphenyl ether Related Literature
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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