benzene, 1,3-dibromo-5-(4-bromophenoxy)-

Synonyms: "1,3-dibromo-5-(4-bromophenoxy)benzene", "PBDE 39", "BDE-39".

Source: 3,4',5-Tribromodiphenyl 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: 1,3-dibromo-5-(4-bromophenoxy)benzene
CAS Number: 407606-57-9
PubChem ID: 71362053
InChiKey: UFFNOPDHJNQYKD-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1OC2=CC(=CC(=C2)Br)Br)Br

Structural Properties:

Molecular Formula: C₁₂H₇Br₃O
Molecular Weight: 406.899

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 16

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

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.