2,2',4,5-tetrachlorobiphenyl

Synonyms: "PCB 48", "2,2',4,5-tetrachloro-1,1'-biphenyl", "1,1'-biphenyl, 2,2',4,5-tetrachloro"

Source: 2,2',4,5-tetrachlorobiphenyl 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: 1,2,4-trichloro-5-(2-chlorophenyl)benzene
CAS Number: 70362-47-9
PubChem ID: 51041
InChiKey: XBTHILIDLBPRPM-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C(=C1)C2=CC(=C(C=C2Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₆Cl₄
Molecular Weight: 291.988

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
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

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.