1,3,6,8-tetrachlorodibenzofuran

Synonyms: "1,3,6,8-TCDF", "1,3,6,8-tetrachlorodibenzo[b,d]furan".

Source: 1,3,6,8-tetrachlorodibenzofuran 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: 1,3,6,8-tetrachlorodibenzofuran
CAS Number: 71998-72-6
PubChem ID: 51462
InChiKey: BDXKVABZWRZKOS-UHFFFAOYSA-N
Canonical SMILES: C1=C(C=C2C3=C(C=C(C=C3OC2=C1Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₄Cl₄O
Molecular Weight: 305.963

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 17

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3D structure (.sdf)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Harris M, Zacharewski T, Safe S. 1990. Effects of 2,3,7,8-tetrachlorodibenzo-p-dioxin and related compounds on the occupied nuclear estrogen receptor in MCF-7 human breast cancer cells. Cancer Res 50(12):3579-3584. URL: http://cancerres.aacrjournals.org/content/50/12/3579.long.
Krishnan V, Safe S. 1993. Polychlorinated biphenyls (PCBs), dibenzo-p-dioxins (PCDDs), and dibenzofurans (PCDFs) as antiestrogens in MCF-7 human breast cancer cells: quantitative structure-activity relationships. Toxicol Appl Pharmacol 120(1):55-61. DOI: 10.1006/taap.1993.1086. URL: https://www.sciencedirect.com/science/article/pii/S0041008X83710860?via%3Dihub.