2,3',4,4',5'-pentachlorobiphenyl

Synonyms: "1,2,3-trichloro-5-(2,4-dichlorophenyl)benzene", "2',3,4,4',5-pentachloro-1,1'-biphenyl", "3,4,5,2',4'-Pentachloro-biphenyl", "PCB No. 123", "PCB-123", "PCB 123".

Source: 2,3',4,4',5'-pentachlorobiphenyl 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-trichloro-5-(2,4-dichlorophenyl)benzene
CAS Number: 65510-44-3
PubChem ID: 47650
InChiKey: YAHNWSSFXMVPOU-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C12H5Cl5
Molecular Weight: 326.422

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 17

Downloads

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

Toxicological Information

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


Jones JM, Anderson JW. 1999. Relative potencies of PAHs and PCBs based on the response of human cells. Environmental Toxicology and Pharmacology 7(1):19-26. DOI: 10.1016/S1382-6689(98)00045-3. URL: https://www.sciencedirect.com/science/article/pii/S1382668998000453?via%3Dihub.

External Links

2D-structure

3D-structure