2,3,7-trichloro-8-methyloxanthrene

Synonyms: "8-methyl-2,3,7-trichlorodibenzodioxin", "2,3,7-trichloro-8-methyldibenzo-p-dioxin", "2,3,7-Trichloro-8-methyloxanthrene".

Source: 2,3,7-trichloro-8-methyloxanthrene is a polychlorinated naphthalene (PCN). PCNs are ubiquitous environmental pollutants produced by combustion, and present in electrical devices, wood, paper and textiles to attain waterproofness, flame resistance and protection against insects, molds and fungi.

Identifiers:

IUPAC Name: 2,3,7-trichloro-8-methyldibenzo-p-dioxin
CAS Number: 112344-57-7
PubChem ID: 183439
InChiKey: XUOCRPPPSAFJCF-UHFFFAOYSA-N
Canonical SMILES: CC1=CC2=C(C=C1Cl)OC3=CC(=C(C=C3O2)Cl)Cl

Structural Properties:

Molecular Formula: C13H7Cl3O2
Molecular Weight: 301.547

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 18

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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


Dickerson R, Keller LH, Safe S. 1995. Alkyl polychlorinated dibenzofurans and related compounds as antiestrogens in the female rat uterus - Structure-activity studies. Toxicol Appl Pharmacol 135(2):287-298. DOI: 10.1006/taap.1995.1235. URL: http://www.sciencedirect.com/science/article/pii/S0041008X85712355?via%3Dihub.

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3D-structure