1,3,8-trichloro-6-ethyldibenzofuran

Synonyms: "1,3,8-trichloro-6-ethyl-dibenzofuran", "1,3,8-trichloro-6-ethyldibenzofuran".

Source: 1,3,8-trichloro-6-ethyldibenzofuran 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: 1,3,8-trichloro-6-ethyldibenzofuran
CAS Number: 125652-16-6
PubChem ID: 483586
InChiKey: LYNXFANHQJOIDJ-UHFFFAOYSA-N
Canonical SMILES: CCC1=C2C(=CC(=C1)Cl)C3=C(C=C(C=C3O2)Cl)Cl

Structural Properties:

Molecular Formula: C14H9Cl3O
Molecular Weight: 299.575

Pharmacophore Features:

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

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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


Dickerson R, Keller LH, Safe S. 1995. Alkyl polychlorinated dibenzofurans and related compounds as antiestrogens in the female rat uterus - Structure-activity studies. Toxicol Appl Pharmacol 135(2):287-298. DOI: 10.1006/taap.1995.1235. URL: http://www.sciencedirect.com/science/article/pii/S0041008X85712355?via%3Dihub.

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