2,5-Dichloro-4'-biphenylol
Basic information
- CAS
53905-28-5- Standard SMILES
Oc1ccc(-c2cc(Cl)ccc2Cl)cc1- InChIKey
BTORSXCJJIWNIS-UHFFFAOYSA-N- Molecular formula
- C12H8Cl2O
- Average molar mass
- 239.09 g/mol
- Monoisotopic mass
- 237.9952203
Overview
2,5-Dichloro-4'-biphenylol is a member of biphenyls and a dichlorobenzene.
Names & identifiers
- Preferred name
- 2,5-Dichloro-4'-biphenylol
- IUPAC
- 4-(2,5-dichlorophenyl)phenol
- English name
- 4-Hydroxy-2',5'-dichlorobiphenyl
- Molecular formula
- C12H8Cl2O
- Molecular weight
- 239.1
Names & synonyms
2,5-Dichloro-4'-biphenylol53905-28-54-(2,5-dichlorophenyl)phenol4-HYDROXY-2',5'-DICHLOROBIPHENYL2',5'-Dichloro-(1,1'-biphenyl)-4-ol[1,1'-Biphenyl]-4-ol, 2',5'-dichloro-(1,1'-Biphenyl)-4-ol, 2',5'-dichloro-2',5'-dichlorobiphenyl-4-ol57V0Q05TMHUNII-57V0Q05TMHMFCD00152406BIDD:ER0150
Show more names
2',5'-Dichloro-4-biphenylol2',5'-Dichloro-1,1'-biphenyl-4-ol
SCHEMBL2280325DTXSID0022351CHEBI:34244BTORSXCJJIWNIS-UHFFFAOYSA-N2,5-dichloro-4' -hydroxybiphenylAKOS0026781852',5'-Dichloro[1,1'-biphenyl]-4-ol2',5'-Dichloro[1,1'-biphenyl]-4-ol #
Database identifiers
- CAS
53905-28-5- PubChem CID
- 91653
- DTXSID
DTXSID0022351- ChEBI
CHEBI:34244- UNII
- 57V0Q05TMH
- Nikkaji
- J146.422A
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.63
Collision Cross Section152.6 Ų [M-H]-
Physicochemical properties
- Melting point
- 74 · 74-78 °C
- Boiling point
- 347.1 · 347.1±27.0 °C(Predicted)
- Density
- 1.35 · 1.350±0.06 g/cm3(Predicted)
- pka
- 9.25 · 9.25±0.30(Predicted)
- FDA UNII
- 57 V0Q05TMH · 57V0Q05TMH
Chemistry & industry
Additional notes
DefinitionChEBI: 2,5-Dichloro-4'-biphenylol is a member of biphenyls and a dichlorobenzene.
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