Basic information
- CAS
56858-70-9- Standard SMILES
Oc1ccc(-c2ccc(O)cc2Cl)cc1- InChIKey
SDDOUBZCBHJDLO-UHFFFAOYSA-N- Molecular formula
- C12H9ClO2
- Average molar mass
- 220.65 g/mol
- Monoisotopic mass
- 220.0291072
Overview
2-chloro-1,1'-biphenyl-4,4'-diol is a member of the class of hydroxybiphenyls that is biphenyl-4,4'-diol in which the hydrogen at position 2 has been replaced by a chlorine. It is a member of hydroxybiphenyls and a member of monochlorobenzenes. It is functionally related to a biphenyl-4,4'-diol.
Names & identifiers
- Preferred name
- 2-Chloro-(1,1'-biphenyl)-4,4'-diol
- IUPAC
- 3-chloro-4-(4-hydroxyphenyl)phenol
- English name
- [1,1-Biphenyl]-4,4-diol,2-chloro-(9CI)
- Molecular formula
- C12H9ClO2
- Molecular weight
- 220.65
Names & synonyms
2-Chloro-(1,1'-biphenyl)-4,4'-diol56858-70-92-Chloro-4,4'-biphenyldiol3-chloro-4-(4-hydroxyphenyl)phenol4,4'-Dihydroxy-2'-chlorobiphenyl2-chloro-1,1'-biphenyl-4,4'-diol(1,1'-Biphenyl)-4,4'-diol, 2-chloro-2-chloro-[1,1'-biphenyl]-4,4'-diolZ9DS45K5U5chlorodihydroxybiphenylUNII-Z9DS45K5U5SCHEMBL3684267
Show more names
[1,1'-Biphenyl]-4,4'-diol, 2-chloro-[1,1-Biphenyl]-4,4-diol,2-chloro-(9CI)
CHEBI:342672-chloro-4,4'-dihydroxybiphenylDTXSID702053882-Chloro[1,1'-biphenyl]-4,4'-diolNS00005419(1,1-BIPHENYL)-4,4-DIOL, 2-CHLORO-Q27115956
Database identifiers
- CAS
56858-70-9- PubChem CID
- 134445
- DTXSID
DTXSID70205388- ChEBI
CHEBI:34267- UNII
- Z9DS45K5U5
- Nikkaji
- J772.317B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
LogP3.37
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 361.3 · 361.3±27.0 °C(Predicted)
- Density
- 1.349 · 1.349±0.06 g/cm3(Predicted)
- pka
- 9.13 · 9.13±0.31(Predicted)
- FDA UNII
- 9 DS45K5U5 · Z9DS45K5U5
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Additional notes
DefinitionChEBI: A member of the class of hydroxybiphenyls that is biphenyl-4,4'-diol in which the hydrogen at position 2 has been replaced by a chlorine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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