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.


IUPAC Name: 1-bromo-4-(4-bromophenoxy)benzene
CAS Number: 2050-47-7
PubChem ID: 16305
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


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)

IRIS (Integrated Risk Information System)

ITER (International Toxicity Estimates for Risk)

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.

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