Acetonitrile

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Properties Simple | Detailed

Formula C2H3N
IUPAC Name acetonitrile
Molecular Mass 41.052 g·mol−1
Heat of Formation 76.2 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 62.73 Å 3
Surface Area 81.8 Å 2
HOMO Energy -12.77 ± 0.55 eV
LUMO Energy 4.22 ± eV
Point Group Symmetry C3v
Synonyms
  • acetonitril
  • acetonitril [german, dutch]
  • acetonitrile : water 15:85; with 0.1% ipc reagent
  • acetonitrile [un1648] [flammable liquid]
  • acetonitrile solution
  • acetonitrile with 0.1% acetic acid
  • acetonitrile with 0.1% ammonium acetate
  • acetonitrile with 0.1% formic acid
  • acetonitrile with 0.1% formic acid and 0.01% trifluoroacetic acid
  • acetonitrile with 0.1% trifluoroacetic acid
  • acn
  • cc.equiv.n
  • ccn
  • ch3-c#n
  • cyanomethane
  • cyanure de methyl
  • ethanenitrile
  • ethyl nitrile
  • mecn
  • methane, cyano-
  • methanecarbonitrile
  • methyl cyanide
  • ncme
  • usaf ek-488
CAS Number(s)
  • 54841-72-4
  • 26809-02-9
  • 75-05-8
InChIKey WEVYAHXRMPXWCK-UHFFFAOYSA-N
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Elements H C N