4-hydroxy-2',4',6'-trichlorobiphenyl

Synonyms: "4-hydroxy-2',4',6'-trichlorobiphenyl", "2,4,6-trichloro-4'-biphenylol", "OH-PCB-30", "2',4',6'-trichloro-4-biphenylol", "2',4',6'-trichloro-(1,1'-biphenyl)-4-ol", "4-(2,4,6-trichlorophenyl)phenol", "4'-OH-PCB-30".

Source: 4-hydroxy-2',4',6'-trichlorobiphenyl belongs to the hydroxylated metabolites of polychlorinated biphenyls (OH-PCBs).

Identifiers:

IUPAC Name: 4-(2,4,6-trichlorophenyl)phenol
CAS Number: 14962-28-8
PubChem ID: 105036
InChiKey: LTQJFLVGNGVJCX-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1C2=C(C=C(C=C2Cl)Cl)Cl)O

Structural Properties:

Molecular Formula: C12H7Cl3O
Molecular Weight: 273.537

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 16

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
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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. DOI: 10.1016/S0048-9697(99)00221-1. URL: https://www.sciencedirect.com/science/article/pii/S0048969799002211.
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/.

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