Bis(4-bromophenyl) ether

Synonyms: 2050-47-7, "Bis(4-bromophenyl) ether", "4,4'-Oxybis(bromobenzene)", "4,4'-Dibromodiphenyl ether", "4-Bromophenyl ether", "p,p'-Dibromodiphenyl ether", "1-Bromo-4-(4-bromophenoxy)benzene", "USAF DO-61", "Benzene, 1,1'-oxybis[4-bromo-", "Bis(4-bromophenyl)ether", "Bis(p-bromophenyl) ether", "Ether, bis(p-bromophenyl)", "ETHER, BIS(4-BROMOPHENYL)", "4,4'-Dibromodiphenyl oxide", "Bis(p-bromophenyl)ether", "UNII-OS4N55HE2E", "NSC 9487", "NSC 1787", "1,1'-oxybis(4-bromobenzene)", "Bis(bromophenyl) ether", "di(4-Bromophenyl)ether", "Benzene, 1,1'-oxybis(4-bromo-", "EINECS 218-0"

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: 328,000

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 15

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

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