4-hydroxy-2,2',5'-trichlorobiphenyl

Synonyms: "2,2',5'-trichlorobiphenyl-4-ol", "3-chloro-4-(2,5-dichlorophenyl)phenol", "2,2',5'-trichloro-(1,1'-biphenyl)-4-ol"

Source: 4-hydroxy-2,2',5'-trichlorobiphenyl 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-(2,5-dichlorophenyl)phenol
CAS Number: 53905-33-2
PubChem ID: 119106
InChiKey: BOMKFRARJMTKCQ-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1O)Cl)C2=C(C=CC(=C2)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₇Cl₃O
Molecular Weight: 273.542

Pharmacophore Features:

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

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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

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.