2,3,4,5,6-Pentabromotoluene

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Properties Simple | Detailed

Formula C7H3Br5
IUPAC Name 1,2,3,4,5-pentabromo-6-methyl-benzene
Molecular Mass 486.619 g·mol−1
Heat of Formation 173.4 ± 16.7 kJ·mol−1
Dipole Moment 2.04 ± 1.08 D
Volume 267.35 Å 3
Surface Area 236.89 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2,3,4,5-pentabromo-6-methylbenzene
  • benzene, pentabromomethyl-
  • cds1_000192
  • flammex 5bt
  • pentabromomethylbenzene
  • pentabromotoluene
  • toluene, 2,3,4,5,6-pentabromo-
CAS Number(s)
  • 87-83-2
  • 26101-97-3
InChIKey OZHJEQVYCBTHJT-UHFFFAOYSA-N
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Elements H C Br