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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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


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.

External Links

2D-structure

3D-structure