decachlorobiphenyl

Synonyms: "decachloro-1,1'-biphenyl", "perchlorobiphenyl", "PCB 209"

Source: decachlorobiphenyl is a PCB (Polychlorinated biphenyl) which is considered an industrial pollutant.

Identifiers:

IUPAC Name: 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene
CAS Number: 2051-24-3
PubChem ID: 16318
InChiKey: ONXPZLFXDMAPRO-UHFFFAOYSA-N
Canonical SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂Cl₁₀
Molecular Weight: 498.658

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 22

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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.