1,2,4,7,9-pentachlorodibenzofuran

Synonyms: "1,2,4,7,9-pentachlorodibenzofuran", "1,2,4,7,9-pentachloro-dibenzofuran", "1,2,4,7,9-PCDF".

Source: 1,2,4,7,9-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: 1,2,4,7,9-pentachlorodibenzofuran
CAS Number: 71998-74-8
PubChem ID: 51464
InChiKey: IYGVHNHWORPMFU-UHFFFAOYSA-N
Canonical SMILES: C1=C(C=C2C(=C1Cl)C3=C(O2)C(=CC(=C3Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₃Cl₅O
Molecular Weight: 340.405

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 18

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3D structure (.sdf)
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TEDX List of Potential Endocrine Disruptors

Bandiera S, Sawyer T, Romkes M, Zmudzka B, Safe L, Mason G, Keys B, Safe S. 1984. Polychlorinated dibenzofurans (PCDFs): effects of structure on binding to the 2,3,7,8-TCDD cytosolic receptor protein, AHH induction and toxicity. Toxicology 32(2):131-144. DOI: 10.1016/0300-483X(84)90132-X. URL: http://www.sciencedirect.com/science/article/pii/0300483X8490132X.