1,2,3,6-tetrachlorodibenzofuran

Synonyms: "1,2,3,6-tetrachloro-dibenzofuran"

Source: 1,2,3,6-tetrachlorodibenzofuran is one of the polychlorinated dibenzofurans (PCDFs), which are ubiquitous environmental contaminants, usually formed as byproducts of the production and use of polychlorinated biphenyls (PCBs).

Identifiers:

IUPAC Name: 1,2,3,6-tetrachlorodibenzofuran
CAS Number: 83704-21-6
PubChem ID: 55103
InChiKey: BBAXFLIBRPXRBP-UHFFFAOYSA-N
Canonical SMILES: C1=CC2=C(C(=C1)Cl)OC3=CC(=C(C(=C23)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₄Cl₄O
Molecular Weight: 305.972

Pharmacophore Features:

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

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Mason G, Sawyer T, Keys B, Bandiera S, Romkes M, Piskorska-Pliszczynska J, Zmudzka B, Safe S. 1985. Polychlorinated dibenzofurans (PCDFs): correlation between in vivo and in vitro structure-activity relationships. Toxicology 37(1-2):1-12.