5-Chloro-3-Methyl-4-Nitro-1H-Pyrazole

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Properties Simple | Detailed

Formula C4H4ClN3O2
IUPAC Name 3-chloro-5-methyl-4-nitro-pyrazol-1-ium-2-ide
Molecular Mass 161.546 g·mol−1
Heat of Formation 113.8 ± 16.7 kJ·mol−1
Dipole Moment 6.20 ± 1.08 D
Volume 159.0 Å 3
Surface Area 163.06 Å 2
HOMO Energy -10.46 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-pyrazole, 3-chloro-5-methyl-4-nitro-
  • 3-chloro-5-methyl-4-nitro-1h-pyrazole
  • 5-chloro-3-methyl-4-nitropyrazole
  • abg 3030
  • caswell no. 196a
  • epa pesticide chemical code 207100
  • pyrazole, 3(or 5)-chloro-5(or 3)-methyl-4-nitro-
  • release
CAS Number(s)
  • 13551-81-0
  • 52452-89-8
  • 66163-48-2
  • 6814-58-0
  • 73536-00-2
  • 83588-42-5
InChIKey ZCHRCALASPNJEQ-UHFFFAOYSA-N
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Elements H C N O Cl