2,2',3,4',5,6-Hexabromodiphenyl ether
Basic information
- CAS
116995-33-6- Standard SMILES
Brc1ccc(Oc2c(Br)c(Br)cc(Br)c2Br)c(Br)c1- InChIKey
OWBKWMDBTWHGHS-UHFFFAOYSA-N- Molecular formula
- C12H4Br6O
- Average molar mass
- 643.6 g/mol
- Monoisotopic mass
- 637.53624
Names & identifiers
- Preferred name
- 2,2',3,4',5,6-Hexabromodiphenyl ether
- IUPAC
- 1,2,4,5-tetrabromo-3-(2,4-dibromophenoxy)benzene
Names & synonyms
PBDE 1472,2',3,4',5,6-Hexabromodiphenyl etherUNII-2F963Q47DD2F963Q47DDBenzene, 1,2,4,5-tetrabromo-3-(2,4-dibromophenoxy)-116995-33-61,2,4,5-tetrabromo-3-(2,4-dibromophenoxy)benzeneBDE-147DTXSID00879950OWBKWMDBTWHGHS-UHFFFAOYSA-NQ27254674
Database identifiers
- CAS
116995-33-6- PubChem CID
- 85566993
- DTXSID
DTXSID00879950- UNII
- 2F963Q47DD
- Nikkaji
- J201.361D
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 290
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Compound notes
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