4-Hydroxy-3,5-dichlorobiphenyl
Basic information
- CAS
1137-59-3- Standard SMILES
Oc1c(Cl)cc(-c2ccccc2)cc1Cl- InChIKey
HHFXDKAXCKUSIV-UHFFFAOYSA-N- Molecular formula
- C12H8Cl2O
- Average molar mass
- 239.09 g/mol
- Monoisotopic mass
- 237.99522024
Overview
4-Hydroxy-3,5-dichlorobiphenyl is a member of biphenyls and a dichlorobenzene.
Names & identifiers
- Preferred name
- 4-Hydroxy-3,5-dichlorobiphenyl
- IUPAC
- 2,6-dichloro-4-phenylphenol
- English name
- 4-Hydroxy-3,5-dichlorobiphenyl
- Molecular formula
- C12H8Cl2O
- Molecular weight
- 239.1
Names & synonyms
1137-59-34-Hydroxy-3,5-dichlorobiphenyl2,6-dichloro-4-phenylphenol3,5-Dichloro-4-hydroxybiphenyl[1,1'-Biphenyl]-4-ol, 3,5-dichloro-(1,1'-Biphenyl)-4-ol, 3,5-dichloro-4-Biphenylol, 3,5-dichloro-3,5-Dichloro-(1,1'-biphenyl)-4-ol3,5-Dichloro-4-biphenylol2,6-Dichloro-p-phenylphenolCHEMBL836692,6-dichloro-4-phenyl-phenol
Show more names
3,5-Dichlorobiphenyl-4-ol3,5-Dichloro-1,1'-biphenyl-4-ol3-Bromo-5-chloro-[1,1'-biphenyl]-4-ol4-Hydroxy-3,5-dichlorobiphenyl@100 μg/mL in Isooctane
SCHEMBL3564211CHEBI:34419DTXSID90150528MFCD001524083,5-Dichloro[1,1'-biphenyl]-4-ol3,5-Dichloro[1,1'-biphenyl]-4-ol #PD144579NS00003243
Database identifiers
- CAS
1137-59-3- PubChem CID
- 70820
- DTXSID
DTXSID90150528- ChEMBL
CHEMBL83669- ChEBI
CHEBI:34419- Nikkaji
- J146.423J
Properties
Computed structural properties
- XLogP
- 4.4
- 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
- 192
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section150.9 Ų [M-H]-
Physicochemical properties
- Boiling point
- 327.7 · 327.7±37.0 °C(Predicted)
- Density
- 1.35 · 1.350±0.06 g/cm3(Predicted)
- pka
- 6.94 · 6.94±0.23(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Additional notes
DefinitionChEBI: 4-Hydroxy-3,5-dichlorobiphenyl is a member of biphenyls and a dichlorobenzene.
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Related reactions
2 records
Compound notes
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