2,2',4,6,6'-pentachlorobiphenyl

Synonyms: "2,2',4,6,6'-pentachloro-1,1'-biphenyl", "PCB 104", "2,4,6,2',6'-pentachlorobiphenyl"

Source: 2,2',4,6,6'-pentachlorobiphenyl is a polybrominated biphenyl. Polybrominated biphenyls (PBBs) are man-made chemicals that were used as fire retardants in plastics that were used in a variety of consumer products.

Identifiers:

IUPAC Name: 1,3,5-trichloro-2-(2,6-dichlorophenyl)benzene
CAS Number: 56558-16-8
PubChem ID: 91662
InChiKey: MTCPZNVSDFCBBE-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C(=C1)Cl)C2=C(C=C(C=C2Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₅Cl₅
Molecular Weight: 326.433

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 17

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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

Fielden MR, Chen I, Chittim B, Safe SH, Zacharewski TR. 1997. Examination of the estrogenicity of 2,4,6,2',6'-pentachlorobiphenyl (PCB 104), its hydroxylated metabolite 2,4,6,2',6'-pentachloro-4-biphenylol (HO-PCB 104), and a further chlorinated derivative, 2,4,6,2',4',6'-hexachlorobiphenyl (PCB 155). Environ Health Perspect 105(11):1238-1248.