3-(Chloromethyl)-2,5,6-Trimethyl-1H,7H-Pyrazolo(1,2-A)Pyrazole-1,7-Dione

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Formula C10H11ClN2O2
IUPAC Name 7-(chloromethyl)-1,2,6-trimethyl-pyrazolo[1,2-a]pyrazole-4,8-diium-3,5-dione
Molecular Mass 226.660 g·mol−1
Heat of Formation -170.4 ± 16.7 kJ·mol−1
Dipole Moment 6.83 ± 1.08 D
Volume 254.65 Å 3
Surface Area 231.46 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 1.72 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(chloromethyl)-2,6,7-trimethyl-pyrazolo[1,2-a]pyrazole-3,5-dione
  • 1-(chloromethyl)-2,6,7-trimethyl-pyrazolo[1,2-a]pyrazole-3,5-quinone
  • 1-(chloromethyl)-2,6,7-trimethylpyrazolo[1,2-a]pyrazole-3,5-dione
  • 1h,7h-pyrazolo(1,2-a)pyrazole-1,7-dione, 3-(chloromethyl)-2,5,6-trimethyl-
  • chlorobimane
  • monochlorobimane
CAS Number(s)
  • 76421-73-3
InChIKey SUIPVTCEECPFIB-UHFFFAOYSA-N
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