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Basic information
- CAS
13049-13-3- Standard SMILES
Oc1c(Cl)cc(-c2cc(Cl)c(O)c(Cl)c2)cc1Cl- InChIKey
YCYDXOVJXVALHY-UHFFFAOYSA-N- Molecular formula
- C12H6Cl4O2
- Average molar mass
- 323.99 g/mol
- Monoisotopic mass
- 321.91219015
Names & identifiers
- Preferred name
- 3,3',5,5'-Tetrachloro-4,4'-biphenyldiol
- IUPAC
- 3,3',5,5'-Tetrachloro[1,1'-biphenyl]-4,4'-diol
- English name
- 4,4'-Biphenyldiol, 3,3',5,5'-tetrachloro-
- Molecular formula
- C12H6Cl4O2
- Molecular weight
- 323.99
Names & synonyms
3,3',5,5'-tetrachloro-4,4'-diphenol3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL4,4'-Biphenyldiol, 3,3',5,5'-tetrachloro-[1,1'-Biphenyl]-4,4'-diol, 3,3',5,5'-tetrachloro-
Database identifiers
- CAS
13049-13-3- PubChem CID
- 97032
- DTXSID
DTXSID5022352- ChEMBL
CHEMBL83116- ChEBI
CHEBI:35434- UNII
- OHS8K6J04I
- EC Number
- 999-170-5
- Nikkaji
- J530.167J
Properties
Physicochemical properties
- Melting point
- 235 °C · 235 °C
- Boiling point
- 389.6 · 389.6±37.0 °C(Predicted)
- Density
- 1.624 · 1.624±0.06 g/cm3(Predicted)
- pka
- 5.92 · 5.92±0.40(Predicted)
- FDA UNII
- 8 K6J04I · OHS8K6J04I
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Additional notes
DefinitionChEBI: 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol is a member of the class of hydroxybiphenyls formed formally by chlorination of biphenyl-4,4'-diol at C-3, -3', -5 and -5'. It is a dichlorobenzene and a member of hydroxybiphenyls. It is functionally related to a biphenyl-4,4'-diol and a 3,3',5,5'-tetrachlorobiphenyl.
Related reactions
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Compound notes
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