4-hydroxy-3-chlorobiphenyl

Synonyms: "2-chloro-4-phenylphenol", "4-phenyl-2-chlorophenol", "3-chloro-4-hydroxybiphenyl", "3-chloro-4-biphenylol", "3-chlorobiphenyl-4-ol", "o-chloro-p-phenylphenol", "2-chloro-p-phenylphenol", "3-chloro-4-hydroxydiphenyl", "3-chlor-4-hydroxybifenyl"

Source: 4-hydroxy-3-chlorobiphenyl is a monohydroxy metabolite of 4-monochlorobiphenyl, which is found in small amounts in commercial PCB mixtures, indoor and outdoor air and in food.

Identifiers:

IUPAC Name: 4-hydroxy-3-chlorobiphenyl
CAS Number: 92-04-6
PubChem ID: 7074
InChiKey: BZWMYDJJDBFAPE-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=C(C=C2)O)Cl

Structural Properties:

Molecular Formula: C12H9ClO
Molecular Weight: 204.652

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 14

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Evidence Supporting This Chemical as an Endocrine Disruptor
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Kramer VJ, Giesy JP. 1999. Specific binding of hydroxylated polychlorinated biphenyl metabolites and other substances to bovine calf uterine estrogen receptor: structure-binding relationships. Sci Total Environ 233(1-3):141-161.

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