5-Methyl-3-(Trifluoromethyl)Pyrazole

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Properties Simple | Detailed

Formula C5H5F3N2
IUPAC Name 5-methyl-3-(trifluoromethyl)pyrazol-1-ium-2-ide
Molecular Mass 150.102 g·mol−1
Heat of Formation -508.1 ± 16.7 kJ·mol−1
Dipole Moment 6.16 ± 1.08 D
Volume 152.8 Å 3
Surface Area 160.59 Å 2
HOMO Energy -10.29 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrazole, 3-methyl-5-(trifluoromethyl)-
  • 3-methyl-5-(trifluoromethyl)-2h-pyrazole
  • 3-methyl-5-(trifluoromethyl)pyrazole
  • pyrazole, 3-methyl-5-(trifluoromethyl)-
  • zero/006128
CAS Number(s)
  • 10010-93-2
InChIKey DLCHCAYDSKIFIN-UHFFFAOYSA-N
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DOI
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Elements H C N F