nonabromodiphenyl ether

Synonyms: "Nonabromodiphenyl ether", "Nonabromophenoxybenzene", "Nonabromodiphenyl oxide", "PBDE 206".

Source: nonabromodiphenyl ether belongs to polybrominated diphenyl ethers (PBDEs), which are a class of recalcitrant and bioaccumulative halogenated compounds that have emerged as a major environmental pollutant. PBDEs are used as a flame-retardant and are found in consumer goods such as electrical equipment, construction materials, coatings, textiles and polyurethane foam (furniture padding).

Identifiers:

IUPAC Name: 1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene
CAS Number: 139749-52-3
PubChem ID: 45472
InChiKey: CYRHBNRLQMLULE-UHFFFAOYSA-N
Canonical SMILES: C1=C(C(=C(C(=C1Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br

Structural Properties:

Molecular Formula: C12HBr9O
Molecular Weight: 880.275

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 22

Downloads

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

Toxicological Information

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.

External Links

2D-structure

3D-structure