Chem
J-GLOBAL ID:200907043579203863   Nikkaji number:J2.186.787J

1,1′-Methylenebis[4-(4,4,4-trifluorobutyl)-1H-1,2,4-triazole-4-ium]

1,1′-メチレンビス[4-(4,4,4-トリフルオロブチル)-1H-1,2,4-トリアゾール-4-イウム]
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C13H18F6N4[N+]2
Molecular formula furigana: C13-H18-F6-N6
Molecular weight: 372.318
InChI: InChI=1S/C13H18F6N6/c14-12(15,16)3-1-5-22-7-20-24(9-22)11-25-10-23(8-21-25)6-2-4-13(17,18)19/h7-10H,1-6,11H2/q+2
InChI key: QVTWGOCFGUITQP-UHFFFAOYSA-N
SMILES: FC(F)(F)CCC[n+]1cnn(Cn2c[n+](CCCC(F)(F)F)cn2)c1
Systematic name  (3):
  • 1,1′-メチレンビス[4-(4,4,4-トリフルオロブチル)-1H-1,2,4-トリアゾール-4-イウム]
  • 4-(4,4,4-トリフルオロブチル)-1-{[4-(4,4,4-トリフルオロブチル)-1H-1,2,4-トリアゾール-4-イウム-1-イル]メチル}-1H-1,2,4-トリアゾール-4-イウム
  • 4-(4,4,4-trifluorobutyl)-1-{[4-(4,4,4-trifluorobutyl)-1H-1,2,4-triazol-4-ium-1-yl]methyl}-1H-1,2,4-triazol-4-ium
Other name (1):
  • 1,1′-Methylenebis[4-(4,4,4-trifluorobutyl)-1H-1,2,4-triazole-4-ium]
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