2,3,4,5,6-Pentabromodiphenyl ether

Base Information

• Chemical Name: 2,3,4,5,6-Pentabromodiphenyl ether
• CAS No.: 32534-81-9
• Molecular Formula: C12H5Br5O
• Molecular Weight: 564.72
• UNII: Z2L01G821E
• UN Number: 3152
• DSSTox Substance ID: DTXSID80548894
• Nikkaji Number: J1.009.882C
• Wikidata: Q27294915
• Mol file: 32534-81-9.mol

Synonyms:2,3,4,5,6-Pentabromodiphenyl ether;189084-65-9;1,2,3,4,5-pentabromo-6-phenoxybenzene;PBDE 116;Benzene, 1,2,3,4,5-pentabromo-6-phenoxy-;UNII-Z2L01G821E;Z2L01G821E;PENTABROMODIPHENYL OXIDE;pentabromo diphenyl ether;SCHEMBL49366;DTXSID80548894;ACRQLFSHISNWRY-UHFFFAOYSA-N;2,3,4,5,6-Pentabromophenyl phenyl ether;NS00120025;1,2,3,4,5-pentakis(bromanyl)-6-phenoxy-benzene;A803594;Q27294915

Chemical Property of 2,3,4,5,6-Pentabromodiphenyl ether

Chemical Property:

• Appearance/Colour: AMBER VISCOUS LIQUID
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: -4oC
• Refractive Index: 1.681
• Boiling Point: 430.768°C at 760 mmHg
• Flash Point: 178.529°C
• PSA: 9.23000
• Density: 2.344g/cm³
• LogP: 7.29140
• Water Solubility.: Insoluble (
• 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: 255
• Transport DOT Label: Class 9

Purity/Quality:

98%min ^*data from raw suppliers

PENTABROMODIPHENYL ETHER 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 48/21/22-50/53-64
• Safety Statements: 36/37-45-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br
• Description: Pentabromodiphenyl ether (PBDE-99) is an amber coloured solid, and insoluble in water. It is a halogenated organic compound and is very unreactive. Reactivity generally decreases with increased degree of substitution of halogen for hydrogen atoms. Materials in this group are incompatible with strong oxidising and reducing agents. Also, they are incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. 2,2′,4,4′,5-Pentabromodiphenyl ether (PBDE-99) was in use as a component of many commonly used flame retardants, including DE-71, Bromkal G1, and other popular mixtures. DE-71 was sold as a flame retardant for unsaturated polyester, rigid and flexible polyurethane foams, epoxies, laminates, adhesives, and coatings. The PBDEs are used in paint, high-impact plastic, foam, and textiles, as well as in electronic, building, automotive, furniture, and household plastic products. The U.S. manufacturers and the EU have banned the use of PBDE since 2004.