5-Amino-4-Cyano-1-(2,6-Dichloro-4-Trifluoromethylphenyl)Pyrazole

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Properties Simple | Detailed

Formula C11H5Cl2F3N4
IUPAC Name 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-1-ium-2-ide-4-carbonitrile
Molecular Mass 321.085 g·mol−1
Heat of Formation -280.2 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 311.85 Å 3
Surface Area 279.55 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrazole-4-carbonitrile, 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-
  • 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1h-pyrazole-4-carbonitrile
  • 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-pyrazolecarbonitrile
CAS Number(s)
  • 86398-96-1
InChIKey YJHMXFBILMSTSZ-UHFFFAOYSA-N
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Elements H N F C Cl