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

Synonyms: PCB 195, "GBU232J61I", "2,2',3,3',4,4',5,6-Octachloro-1,1'-biphenyl", "1,2,3,4,5-pentachloro-6-(2,3,4-trichlorophenyl)benzene", "PCB 195 (2,2',3,3',4,4',5,6-Octachlorobiphenyl)", "PCB No. 195"

Source: 2,2',3,3',4,4',5,6-Octachlorobiphenyl 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: 1,2,3,4,5-pentachloro-6-(2,3,4-trichlorophenyl)benzene
CAS Number: 52663-78-2
PubChem ID: 40485
InChiKey: JAHJITLFJSDRCG-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C(=C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₂Cl₈
Molecular Weight: 429,800

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 20

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 Emerging Contaminant

Mailler, R., Gasperi, J., Patureau, D., Vulliet, E., Delgenes, N., Danel, A., ... & Chebbo, G. (2017). Fate of emerging and priority micropollutants during the sewage sludge treatment: Case study of Paris conurbation. Part 1: Contamination of the different types of sewage sludge. Waste management, 59, 379-393.

External Links

PubChem

PubMed (general search)

PubMed (search as emerging contaminant)

2D-structure

3D-structure