2,2',3,3',4,4',6,6'-Octabromodiphenyl ether

Base Information

• Chemical Name: 2,2',3,3',4,4',6,6'-Octabromodiphenyl ether
• CAS No.: 117964-21-3
• Molecular Formula: C12H2Br8O
• Molecular Weight: 801.37600
• UNII: 1SD9VS79J1
• DSSTox Substance ID: DTXSID9074775
• Nikkaji Number: J248.375K
• Wikidata: Q27252833
• Mol file: 117964-21-3.mol

Synonyms:2,2',3,3',4,4',6,6'-octabromodiphenyl ether;BDE 197;BDE-197;BDE197

Chemical Property of 2,2',3,3',4,4',6,6'-Octabromodiphenyl ether

Chemical Property:

• PSA: 9.23000
• LogP: 9.57890
• XLogP3: 9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 801.34907
• Heavy Atom Count: 21
• Complexity: 326

Purity/Quality:

99% ^*data from raw suppliers

PBDE197 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1Br)Br)Br)OC2=C(C(=C(C=C2Br)Br)Br)Br)Br
• Uses: PBDE 197 is a related compound of PBDE 37 (P215200). PBDE 37 is a polybrominated diphenyl ether, an organobromine compound, used as a flame retardant in consumer products. PBDE 37 is also an environment pollutant that may lead to pregnancy failure.