1,3,4,7,8-pentachlorodibenzofuran

Synonyms: "1,3,4,7,8-penta-chlorodibenzofuran", "1,3,4,7,8-pentachloro-dibenzofuran", "1,3,4,7,8-PCDF".

Source: 1,3,4,7,8-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: 1,3,4,7,8-pentachlorodibenzofuran
CAS Number: 58802-16-7
PubChem ID: 42840
InChiKey: ORSUQGVCWLXKLZ-UHFFFAOYSA-N
Canonical SMILES: C1=C2C(=CC(=C1Cl)Cl)OC3=C2C(=CC(=C3Cl)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

Downloads

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


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. DOI: 10.1016/0300-483X(85)90108-8. URL: https://www.sciencedirect.com/science/article/pii/0300483X85901088.

External Links

2D-structure

3D-structure