Aroclor 1248

Synonyms: "3,5,3',5'-tetrachlorobiphenyl", "kanechlor 400", "3,3',5,5'-tetrachlorodiphenyl", "PCB 80"

Source: aroclor 1248 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: 1,3-dichloro-5-(3,5-dichlorophenyl)benzene
CAS Number: 12672-29-6
PubChem ID: 36400
InChiKey: UTMWFJSRHLYRPY-UHFFFAOYSA-N
Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)C2=CC(=CC(=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

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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

Petit F, Le Goff P, Cravedi JP, Valotaire Y, Pakdel F. 1997. Two complementary bioassays for screening the estrogenic potency of xenobiotics: recombinant yeast for trout estrogen receptor and trout hepatocyte cultures. J Mol Endocrinol 19(3):321-335.