2,2',4,5,6'-pentachlorodiphenyl ether

Synonyms: "1,2,4-trichloro-5-(2,6-dichlorophenoxy)benzene".

Source: 2,2',4,5,6'-pentachlorodiphenyl ether is a polychlorinated diphenyl ether (PCDE). PDDEs are industrial byproducts and widespread environmental contaminants.

Identifiers:

IUPAC Name: 1,2,4-trichloro-5-(2,6-dichlorophenoxy)benzene
CAS Number: 130892-67-0
PubChem ID: 93547
InChiKey: BOJBTUWEQMUWHT-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C(=C1)Cl)OC2=CC(=C(C=C2Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C12H5Cl5O
Molecular Weight: 342.421

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

Rosiak KL, Seo BW, Chu I, Francis BM. 1997. Effects of maternal exposure to chlorinated diphenyl ethers on thyroid hormone concentrations in maternal and juvenile rats. Journal of Environmental Science & Health - Part B: Pesticides, Food Contaminants, & Agricultural Wastes B32(3):377-393. URL: http://www.tandfonline.com/doi/abs/10.1080/03601239709373093?journalCode=lesb20.