2,4',6-Tribromodiphenyl ether

Synonyms: 2,4',6-Tribromodiphenyl ether, "1,3-Dibromo-2-(4-bromophenoxy)benzene", "PBDE 32", "BDE-32", "4-Bromophenyl 2,6-dibromophenyl ether", "2,6-Dibromophenyl 4-bromophenyl ether"

Source: 2,4',6-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-2-(4-bromophenoxy)benzene
CAS Number: 189084-60-4
PubChem ID: 12073151
InChiKey: TYDVYKIQSZGUMV-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C(=C1)Br)OC2=CC=C(C=C2)Br)Br

Structural Properties:

Molecular Formula: C₁₂H₇Br₃O
Molecular Weight: 406,890

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 Emerging Contaminant

Mandalakis, M., Stephanou, E. G., Horii, Y., & Kannan, K. (2008). Emerging contaminants in car interiors: evaluating the impact of airborne PBDEs and PBDD/Fs. Environmental science & technology, 42(17), 6431-6436.

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2D-structure

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