2,2',5,5'-tetrachlorobiphenyl

Synonyms: "2,5,2',5'-tetrachlorobiphenyl", "2,2',5,5'-tetrachloro-1,1'-biphenyl", "2,3',5,6'-tetrachlorobiphenyl", "2,2',5,5'-TCB", "PCB 52", "TCBP"

Source: 2,2',5,5'-tetrachlorobiphenyl is a member of the polychlorinated biphenyls (PCBs), a group of industrial chemicals used as dielectrics, coolants and lubricants in electrical equipment. PCBs contaminate water by leaching from landfills or other waste deposits.

Identifiers:

IUPAC Name: 1,4-dichloro-2-(2,5-dichlorophenyl)benzene
CAS Number: 35693-99-3
PubChem ID: 37248
InChiKey: HCWZEPKLWVAEOV-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)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

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


Jansen HT, Cooke PS, Porcelli J, Liu T-C, Hansen LG. 1993. Estrogenic and antiestrogenic actions of PCBs in the female rat: In vitro and in vivo studies. Reprod Toxicol 7(3):237-248.

External Links

2D-structure

3D-structure