4-chlorobiphenyl

Synonyms: "4-chloro-1,1'-biphenyl", "p-chlorobiphenyl", "1-chloro-4-phenylbenzene", "p-chlorodiphenyl", "4-chlorodiphenyl", "4-monochlorobiphenyl"

Source: 4-chlorobiphenyl is an important intermediate in the preparation of pharmaceuticals and crop protection products.

Identifiers:

IUPAC Name: 1-chloro-4-phenylbenzene
CAS Number: 2051-62-9
PubChem ID: 16323
InChiKey: FPWNLURCHDRMHC-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)Cl

Structural Properties:

Molecular Formula: C12H9Cl
Molecular Weight: 188,653

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 13

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CCRIS (Chemical Carcinogenesis Research Information System)

CTD (Comparative Toxicogenomics Database)

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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