2,3,4,7-tetrachlorodibenzofuran

Synonyms: "2,3,4,7-tetrachloro-dibenzofuran"

Source: 2,3,4,7-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: 2,3,4,7-tetrachlorodibenzofuran
CAS Number: 83704-31-8
PubChem ID: 55111
InChiKey: BROFYOSLFHTGCQ-UHFFFAOYSA-N
Canonical SMILES: C1=CC2=C(C=C1Cl)OC3=C(C(=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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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
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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.