2,3,4,7,8-pentachlorodibenzofuran

Synonyms: "4-PeCDF","2,3,4,7,8-pentapolychlorinated dibenzofuran", "2,3,4,7,8-pentachlorodibenzo[b,d]furan", "2,3,4,7,8-PeCDF", "PCDF 114".

Source: 2,3,4,7,8-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: 2,3,4,7,8-pentachlorodibenzofuran
CAS Number: 57117-31-4
PubChem ID: 42128
InChiKey: OGBQILNBLMPPDP-UHFFFAOYSA-N
Canonical SMILES: C1=C2C3=CC(=C(C(=C3OC2=CC(=C1Cl)Cl)Cl)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

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
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Bandiera S, Sawyer T, Romkes M, Zmudzka B, Safe L, Mason G, Keys B, Safe S. 1984. Polychlorinated dibenzofurans (PCDFs): effects of structure on binding to the 2,3,7,8-TCDD cytosolic receptor protein, AHH induction and toxicity. Toxicology 32(2):131-144. DOI: 10.1016/0300-483X(84)90132-X. URL: http://www.sciencedirect.com/science/article/pii/0300483X8490132X.
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.longKrishnan 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.

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.

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