1,2,4,6,8-pentachlorodibenzofuran

Synonyms: "1,2,4,6,8-pentachloro-dibenzofuran"

Source: 1,2,4,6,8-pentachlorodibenzofuran 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: 1,2,4,6,8-pentachlorodibenzofuran
CAS Number: 69698-57-3
PubChem ID: 50610
InChiKey: JDTUAYPJSSXDNO-UHFFFAOYSA-N
Canonical SMILES: C1=C(C=C2C3=C(C(=CC(=C3Cl)Cl)Cl)OC2=C1Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₃Cl₅O
Molecular Weight: 340.417

Pharmacophore Features:

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

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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.