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

Synonyms: "1,2,4-trichloro-5-(3,4-dichlorophenyl)benzene", "PCB 118", "PCB-118"

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: 1,2,4-trichloro-5-(3,4-dichlorophenyl)benzene
CAS Number: 31508-00-6
PubChem ID: 35823
InChiKey: IUTPYMGCWINGEY-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₅Cl₅
Molecular Weight: 326.433

Pharmacophore Features:

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

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

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

Ness DK, Schantz SL, Moshtaghian J, Hansen LG. 1993. Effects of perinatal exposure to specific to PCB congeners on thyroid hormone concentrations and thyroid histology in the rat. Toxicol Lett 68(3):311-323.

Schantz SL, Seo B-W, Moshtaghian J, Amin S. 1997. Developmental exposure to polychlorinated biphenyls or dioxin: do changes in thyroid function mediate effects on spatial learning? Am Zool 37(4):399-408.