3-Bromopropyl Trifluoromethanesulfonate

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Properties Simple | Detailed

Formula C4H6BrF3O3S
IUPAC Name 3-bromopropyl trifluoromethanesulfonate
Molecular Mass 271.053 g·mol−1
Heat of Formation -1151.9 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 217.74 Å 3
Surface Area 211.87 Å 2
HOMO Energy -10.51 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
Synonyms
  • 3-bromopropyl-1-triflate
  • 3-bromopropyl-1-trifluoromethanesulfonate
  • methanesulfonic acid, trifluoro-, 3-bromopropyl ester
  • trifluoromethanesulfonic acid 3-bromopropyl ester
CAS Number(s)
  • 103935-48-4
InChIKey SEAVCWYCBPZIEO-UHFFFAOYSA-N
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Elements C F H O S Br