4-Bromotoluene

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Properties Simple | Detailed

Formula C7H7Br
IUPAC Name 1-bromo-4-methyl-benzene
Molecular Mass 171.034 g·mol−1
Heat of Formation 68.4 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 157.07 Å 3
Surface Area 162.83 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-bromo-4-methylbenzene
  • 1-methyl-4-bromobenzene
  • 4-bromo-1-methylbenzene
  • 4-methyl-1-bromobenzene
  • 4-methylbromobenzene
  • 4-methylphenyl bromide
  • 4-tolyl bromide
  • benzene, 1-bromo-4-methyl-
  • p-bromotoluene
  • p-methylbromobenzene
  • p-methylphenyl bromide
  • p-tolyl bromide
  • parabromotoluene
  • toluene, 4-bromo-
  • toluene, p-bromo-
CAS Number(s)
  • 106-38-7
InChIKey ZBTMRBYMKUEVEU-UHFFFAOYSA-N
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Elements H C Br