2,4,7,8,9-pentachloro-3-dibenzofuranol

Synonyms: "7-hydroxy-1,2,3,6,8-pentachlorodibenzofuran","3-hydroxy-2,4,7,8,9-pentachlorodibenzofuran", "2,4,7,8,9-pentachlorodibenzo[b,d]furan-3-ol".

Source: 2,4,7,8,9-pentachloro-3-dibenzofuranol is a possible hydroxylated metabolite of polichlorinated dibenzofurans (PCDFs).

Identifiers:

IUPAC Name: 2,4,7,8,9-pentachlorodibenzofuran-3-ol
CAS Number: 166892-31-5
PubChem ID: 11954131
InChiKey: DLGPRCXDKCFDCG-UHFFFAOYSA-N
Canonical SMILES: C1=C2C3=C(C(=C(C=C3OC2=C(C(=C1Cl)O)Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₃Cl₅O₂
Molecular Weight: 356.404

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 19

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Kester MH, Bulduk S, van Toor H, Tibboel D, Meinl W, Glatt H, Falany CN, Coughtrie MW, Schuur AG, Brouwer A, Visser TJ. 2002. Potent inhibition of estrogen sulfotransferase by hydroxylated metabolites of polyhalogenated aromatic hydrocarbons reveals alternative mechanism for estrogenic activity of endocrine disrupters. J Clin Endocrinol Metab 87(3):1142-1150. DOI: 10.1210/jcem.87.3.8311. URL: https://academic.oup.com/jcem/article/87/3/1142/2846988.