2,2',3,4,4'-Pentabromodiphenyl ether

Base Information

• Chemical Name: 2,2',3,4,4'-Pentabromodiphenyl ether
• CAS No.: 182346-21-0
• Molecular Formula: C12H5 Br5 O
• Molecular Weight: 564.69
• European Community (EC) Number: 621-547-7
• UNII: FGO8T80EZ5
• DSSTox Substance ID: DTXSID4052685
• Nikkaji Number: J776.186D
• Wikidata: Q27277979
• Metabolomics Workbench ID: 74809
• Mol file: 182346-21-0.mol

Synonyms:2,2',3,4,4'-pentabromodiphenyl ether;2,2',4,4',5-pentaBDE;2,2',4,4',5-pentabromodiphenyl ether;2,2',4,4',6-pentabromodiphenyl ether;DE 71;DE-71;PBDE;PBDE 100;PBDE 85;PBDE 99;pentabromodiphenyl ether;pentabromodiphenyl ether (mixed isomers)

Chemical Property of 2,2',3,4,4'-Pentabromodiphenyl ether

Chemical Property:

• Boiling Point: 439.3°Cat760mmHg
• Flash Point: 182.3°C
• PSA: 9.23000
• Density: 2.343g/cm³
• LogP: 7.29140
• Storage Temp.: 2-8°C
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 563.62163
• Heavy Atom Count: 18
• Complexity: 277

Purity/Quality:

98%,99%, ^*data from raw suppliers

BDE85 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn,N
• Hazard Codes: F,Xn,N
• Statements: 11-38-50/53-65-67
• Safety Statements: 60-61-62-33-29-16-9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C=C2)Br)Br)Br
• Uses: BDE 85 is a polybrominated di-phenyl ether (PBDE) that is used as flame retardant in plastics and textile materials. It can be found in the adipose tissue, plasma, and human milk.