2,3,4,5,6-Pentabromotoluene

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CATAPS87832
CAS87-83-2
Structure
MDL NumberMFCD00000060
SynonymsFlammex 5BT, PBT (flame retardant), 2,3,4,5,6-Pentabromomethylbenzene, 2,3,4,5,6-Pentabromotoluene, Pentabromomethylbenzene, 1,2,3,4,5-Pentabromo-6-methylbenzene, Toluene, 2,3,4,5,6-pentabromo- (6CI,7CI,8CI), PBT,Benzene, pentabromomethyl- (9CI), Pentabromotoluene
IUPAC Name1,2,3,4,5-pentabromo-6-methylbenzene
Molecular Weight486.62
Molecular FormulaC7H3Br5
EC Number201-774-4
Canonical SMILESCc1c(Br)c(Br)c(Br)c(Br)c1Br
InChIInChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3
InChI KeyOZHJEQVYCBTHJT-UHFFFAOYSA-N
Descriptionanalytical standard
Accurate Mass481.6152
Assay≥98.0% (GC); 98.0-102.0% (argentometric after oxygen combustion)
FormatNeat
Gradeanalytical standard
Linear FormulaC6Br5CH3
MP285-286 °C (lit.)
Size50MG
Storage Conditions2-8°C
SubcategoryFlame retardants
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