2,2',4,4',5,5'-hexachlorodiphenyl ether

Synonyms: "1,1'-oxybis(2,4,5-trichlorobenzene)", "2,2',4,4',5,5'-hexaCDE", "PCDE 153"

Source: 2,2',4,4',5,5'-hexachlorodiphenyl ether is a polychlorinated diphenyl ethers (PCDEs). PCDEs are industrial byproducts found in many ecosystems at low levels.


IUPAC Name: 1,2,4-trichloro-5-(2,4,5-trichlorophenoxy)benzene
CAS Number: 71859-30-8
PubChem ID: 51439
Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)OC2=CC(=C(C=C2Cl)Cl)Cl

Structural Properties:

Molecular Formula: C12H4Cl6O
Molecular Weight: 392,877

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 20


2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

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.

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