2,2',3,4',5',6-hexachlorobiphenyl

Synonyms: "2,2',3,4',5',6-hexachloro-1,1'-biphenyl", "PCB 149"

Source: 2,2',3,4',5',6-hexachlorobiphenyl 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: 1,2,4-trichloro-3-(2,4,5-trichlorophenyl)benzene
CAS Number: 38380-04-0
PubChem ID: 38016
InChiKey: LKHLFUVHHXCNJH-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C(=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₄Cl₆
Molecular Weight: 360.878

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 18

Downloads

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

Search Similar molecules

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

Li MH, Hsu PC, Guo YL. 2001. Hepatic enzyme induction and acute endocrine effects of 2,2 ',3,3 ',4,6 '-hexachlorobiphenyl and 2,2,3,4 ',5 ',6-hexachlorobiphenyl in prepubertal female rats. Arch Environ Contam Toxicol 41(3):381-385.