2,2',4,4'-tetrachlorobiphenyl

Synonyms: "2,2',4,4'-tetrachloro-1,1'-biphenyl", "2,4-dichloro-1-(2,4-dichlorophenyl)benzene", "PCB 47"

Source: 2,2',4,4'-tetrachlorobiphenyl is a member of the polychlorinated biphenyl (PCB), 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: 2,4-dichloro-1-(2,4-dichlorophenyl)benzene
CAS Number: 2437-79-8
PubChem ID: 17097
InChiKey: QORAVNMWUNPXAO-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C2=C(C=C(C=C2)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)

Search Similar molecules

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CTD (Comparative Toxicogenomics Database)

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


Soontornchat S, Li MH, Cooke PS, Hansen LG. 1994. Toxicokinetic and toxicodynamic influences on endocrine disruption by polychlorinated biphenyls. Environ Health Perspect 102(6-7):568-571.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer