2,2',3,4,4',5,6-heptabromodiphenyl ether

Synonyms: "PBDE 181", "2,2',3,4,4',5,6-heptabromodiphenyl ether", "PBDE-181".

Source: 2,2',3,4,4',5,6-heptabromodiphenyl ether is a PBDE (Polybrominated diphenyl ethers) congener. PBDEs are flame-retardant man-made chemicals found in plastics used in a variety of consumer products to make them difficult to burn.

Identifiers:

IUPAC Name: 1,2,3,4,5-pentabromo-6-(2,4-dibromophenoxy)benzene
CAS Number: 189084-67-1
PubChem ID: 16212144
InChiKey: GVNRIAPLVGNZPL-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br

Structural Properties:

Molecular Formula: C12H3Br7O
Molecular Weight: 722.483

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 20

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
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Hamers T, Kamstra JH, Sonneveld E, Murk AJ, Kester MH, Andersson PL, Legler J, Brouwer A. 2006. In vitro profiling of the endocrine-disrupting potency of brominated flame retardants. Toxicol Sci 92(1):157-173. DOI: 10.1093/toxsci/kfj187. URL: https://academic.oup.com/toxsci/article/92/1/157/1642946.

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