2,2',4,5'-Tetrabromodiphenyl ether

Synonyms: 2,2',4,5'-Tetrabromodiphenyl ether, "BDE No 49 solution", "PBDE 49", "D24364111Z", "BDE 49"

Source: 2,2',4,5'-tetrabromodiphenyl 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: 1,4-dibromo-2-(2,4-dibromophenoxy)benzene
CAS Number: 243982-82-3
PubChem ID: 15509892
InChiKey: QWVDUBDYUPHNHY-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1Br)Br)OC2=C(C=CC(=C2)Br)Br

Structural Properties:

Molecular Formula: C₁₂H₆Br₄O
Molecular Weight: 485,790

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 17

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Evidence Supporting This Chemical as an Emerging Contaminant

Su, G., Letcher, R. J., Moore, J. N., Williams, L. L., & Grasman, K. A. (2017). Contaminants of emerging concern in Caspian tern compared to herring gull eggs from Michigan colonies in the Great Lakes of North America. Environmental Pollution, 222, 154-164.

External Links

PubChem

PubMed (general search)

PubMed (search as emerging contaminant)

2D-structure

3D-structure