3,4',5-Trichloro-4-biphenylol
Basic information
- CAS
4400-06-0- Standard SMILES
Oc1c(Cl)cc(-c2ccc(Cl)cc2)cc1Cl- InChIKey
OICMUGIRBDYVOV-UHFFFAOYSA-N- Molecular formula
- C12H7Cl3O
- Average molar mass
- 273.5 g/mol
- Monoisotopic mass
- 271.956248
Overview
4,3',5'-Trichloro-4'-biphenol is a member of biphenyls, a dichlorobenzene and a member of monochlorobenzenes.
Names & identifiers
- Preferred name
- 3,4',5-Trichloro-4-biphenylol
- IUPAC
- 2,6-dichloro-4-(4-chlorophenyl)phenol
- English name
- 4-Hydroxy-3,4',5-trichlorobiphenyl
- Molecular formula
- C12H7Cl3O
- Molecular weight
- 0
Names & synonyms
3,4',5-Trichloro-4-biphenylol4400-06-04,3',5'-Trichloro-4'-biphenol4-Biphenylol, 3,4',5-trichloro-[1,1'-Biphenyl]-4-ol, 3,4',5-trichloro-2,6-dichloro-4-(4-chlorophenyl)phenol3,4',5-TRICHLORO-4-HYDROXYBIPHENYLCHEMBL82312SCHEMBL3566720CHEBI:34362DTXSID60963162OICMUGIRBDYVOV-UHFFFAOYSA-N
Show more names
4-Hydroxy-3,4',5-trichlorobiphenyl3,4',5-Trichloro-1,1'-biphenyl-4-ol
2,6,4'-Trichloro-p-phenylphenolPD1445773,4',5-Trichloro[1,1'-biphenyl]-4-olNS000050603,4',5-Trichloro[1,1'-biphenyl]-4-ol #Q27116018
Database identifiers
- CAS
4400-06-0- PubChem CID
- 78111
- DTXSID
DTXSID60963162- ChEMBL
CHEMBL82312- ChEBI
CHEBI:34362- Nikkaji
- J146.425F
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 216
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP5.22
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Additional notes
DefinitionChEBI: 4,3',5'-Trichloro-4'-biphenol is a member of biphenyls, a dichlorobenzene and a member of monochlorobenzenes.
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Compound notes
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