2,2',4,4',5,5'-hexabromodiphenyl ether

Synonyms: 1,1'-oxybis(2,4,5-tribromobenzene), "PBDE 153", "2,2',4,4',5,5'-hexaBDE "

Source: 2,3',4,4',6-pentabromodiphenyl ether is a component of penta- and octa- brominated diphenyl ether flame retardant products.

Identifiers:

IUPAC Name: 1,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene
CAS Number: 68631-49-2
PubChem ID: 155166
InChiKey: RZXIRSKYBISPGF-UHFFFAOYSA-N
Canonical SMILES: C1=C(C(=CC(=C1Br)Br)Br)OC2=CC(=C(C=C2Br)Br)Br

Structural Properties:

Molecular Formula: C₁₂H₄Br₆O
Molecular Weight: 643.58

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 19

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

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