Octachlorodiphenyl ether
Basic information
- CAS
40356-57-8- Standard SMILES
Clc1cc(Oc2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl- InChIKey
HYNYIQBCBHJTOZ-UHFFFAOYSA-N- Molecular formula
- C12H2Cl8O
- Average molar mass
- 445.8 g/mol
- Monoisotopic mass
- 441.761386
Names & identifiers
- Preferred name
- Octachlorodiphenyl ether
- IUPAC
- 1,2,3,4-tetrachloro-5-(2,3,4,6-tetrachlorophenoxy)benzene
- English name
- OCTACHLORODIPHENYLOXIDE
- Molecular weight
- 0
Names & synonyms
40356-57-8L67339B0H5RefChem:1093742DTXSID001019305Octachlorodiphenyl ether2,2',3,3',4,4',5,6'-Octachlorodiphenyl etherNRQ8B1527285918-38-3Octachloro diphenyl etherETHER, OCTACHLORODIPHENYLUNII-NRQ8B15272UNII-L67339B0H5
Show more names
1,2,3,4-tetrachloro-5-(2,3,4,6-tetrachlorophenoxy)benzeneBenzene, 1,1'-oxybis-, octachloro deriv.OCTACHLORODIPHENYLOXIDEPCDE 196DTXSID80960774Benzene, 1,2,3,4-tetrachloro-5-(2,3,4,6-tetrachlorophenoxy)-Q27285020
Database identifiers
- CAS
40356-57-8、85918-38-3- PubChem CID
- 38446
- DTXSID
DTXSID80960774- UNII
- NRQ8B15272
- Nikkaji
- J772.337G
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- FDA UNII
- 67339 B0H5 · L67339B0H5
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Related reactions
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Compound notes
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