4,4'-dibromodiphenyl ether

Synonyms: "bis(4-bromophenyl) ether", "4-bromophenyl ether", "p,p'-dibromodiphenyl ether", "bis(p-bromophenyl) ether"

Source: 4,4'-dibromodiphenyl 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-bromo-4-(4-bromophenoxy)benzene
CAS Number: 2050-47-7
PubChem ID: 16305
InChiKey: YAWIAFUBXXPJMQ-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1OC2=CC=C(C=C2)Br)Br

Structural Properties:

Molecular Formula: C₁₂H₈Br₂O
Molecular Weight: 327.999

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 15

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3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Meerts IATM, van Zanden JJ, Luijks EAC, van Leeuwen-Bol I, Marsh G, Jakobsson E, Bergman Å,, Brouwer A. 2000. Potent competitive interactions of some brominated flame retardants and related compounds with human transthyretin in vitro. Toxicol Sci 56(1):95-104.