2,3,4-trichlorobiphenyl

Synonyms: "2,3,4-trichlorobiphenyl", "trichlorodiphenyl", "pyranol 1499", "apirolio 1431 C", "2,3,4-trichloro-1,1'-biphenyl", "trichloro-1,1'-biphenyl", "1,2,3-trichloro-4-phenylbenzene", "PCB No. 21", "PCB 21".

Source: 2,3,4-trichlorobiphenyl is a member of the polychlorinated biphenyls (PCBs), a group of industrial chemicals used as dielectrics, coolants and lubricants in electrical equipment. PCBs contaminate water by leaching from landfills or other waste deposits.

Identifiers:

IUPAC Name: 1,2,3-trichloro-4-phenylbenzene
CAS Number: 55702-46-0
PubChem ID: 41541
InChiKey: IUYHQGMDSZOPDZ-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=C(C=C2)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₇Cl₃
Molecular Weight: 257.538

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 15

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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

Soto AM, Sonnenschein C, Chung KL, Fernandez MF, Olea N, Serrano FO. 1995. The E-SCREEN assay as a tool to identify estrogens: An update on estrogenic environmental pollutants. Environ Health Perspect 103 (Suppl. 7):113-122. DOI: 10.2307/3432519 . URL: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1518887/.