3,3',4,4',5-Pentabromodiphenyl ether

Base Information

• Chemical Name: 3,3',4,4',5-Pentabromodiphenyl ether
• CAS No.: 366791-32-4
• Molecular Formula: C12H5 Br5 O
• Molecular Weight: 564.69
• UNII: TE8L2L37ZW
• DSSTox Substance ID: DTXSID50573491
• Nikkaji Number: J1.574.980F
• Wikidata: Q27289924
• Mol file: 366791-32-4.mol

Synonyms:366791-32-4;3,3',4,4',5-Pentabromodiphenyl ether;PBDE 126;UNII-TE8L2L37ZW;TE8L2L37ZW;Benzene, 1,2,3-tribromo-5-(3,4-dibromophenoxy)-;1,2,3-Tribromo-5-(3,4-dibromophenoxy)benzene;3,3mu,4,4mu,5-PentaBDE, 3,3mu,4,4mu,5-Pentabromodiphenyl ether solution, PBDE 126;SCHEMBL16678396;DTXSID50573491;NS00077050;Bde no 126 solution oekanal,50mug/ml in isooctane;Q27289924

Chemical Property of 3,3',4,4',5-Pentabromodiphenyl ether

Chemical Property:

• Vapor Pressure: 1.3E-08mmHg at 25°C
• Refractive Index: 1.68
• Boiling Point: 471.6°C at 760 mmHg
• Flash Point: -12 °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: 265

Purity/Quality:

97% ^*data from raw suppliers

BDE No 126 solution 50μg/mL in isooctane, analytical standard ^*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

Useful:

• Canonical SMILES: C1=CC(=C(C=C1OC2=CC(=C(C(=C2)Br)Br)Br)Br)Br
• Uses: PBDE 126 is a polybrominated di-?Ph ether (PBDE), which is a flame retardant often incorporated into many polymers. PBDEs are an environmental pollutant that exhibits potential health risks to humans and wildlife. PBDE 126 is an isomer of PBDE 119 (P215250).