4-hydroxy-2-chlorobiphenyl

Synonyms: "2-chloro-4-biphenylol", "2-chlorobiphenyl-4-ol", "3-chloro-4-phenylphenol", "2-chloro-4-hydroxybiphenyl"

Source: 4-hydroxy-2-chlorobiphenyl is a hydroxylated polychlorinated biphenyl (OH-PCB). OH-PCBs are metabolites of PCBs (polychlorinated biphenyls), which are widely used as dielectric and coolant fluids.

Identifiers:

IUPAC Name: 3-chloro-4-phenylphenol
CAS Number: 23719-22-4
PubChem ID: 79688
InChiKey: MXORDJXBRHNWBE-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C2=C(C=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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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


Gierthy JF, Arcaro KF, Floyd M. 1997. Assessment of PCB estrogenicity in a human breast cancer cell line. Chemosphere 34(5-7):1495-1505.

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Keywords


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