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CN34851 Sigma-Aldrich

Acetonitrile

for HPLC, gradient grade, ≥99.90% (GC)

Synonym: ACN, Methyl cyanide

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Properties

grade   for HPLC, gradient grade
vapor density   1.41 (vs air)
vapor pressure   72.8 mmHg ( 20 °C)
InChI Key   WEVYAHXRMPXWCK-UHFFFAOYSA-N
assay   ≥99.90% (GC)
autoignition temp.   973 °F
expl. lim.   16 %
measuring range   ≤15 mAU baseline drift, (210 nm)
impurities   ≤0.0002% free alkali (as NH3)
  ≤0.0005% non-volatile matter
  ≤0.0005 ppm fluorescence at 365 nm (as quinine)
  ≤0.001% free acid (as CH3COOH)
  ≤0.001 ppm fluorescence at 254 nm (as quinine)
  ≤0.02% water (Karl Fischer)
color   colorless
refractive index   n20/D 1.344(lit.)
bp   81-82 °C(lit.)
mp   −48 °C(lit.)
density   0.786 g/mL at 25 °C(lit.)
absorption   HPLC-gradient/210 nm ≤3 mAU
  HPLC-gradient/254 nm ≤0.5 mAU
UV absorption   λ: 195 nm Amax: ≤0.12
  λ: 200 nm Amax: ≤0.032
  λ: 230 nm Amax: ≤0.0044

Description

Application

Acetonitrile may be used as solvent in the following processes:
• Determination of pKa values of organic superbases using the isodensity polarization continuum model (IPCM).
• Preparation of 1,2-azidoalcohols and 1,2-azidoamines via cerium(III) chloride assisted ring opening of epoxides and aziridines by sodium azide.
• Synthesis of cyano-bearing indolinones by oxidative arylalkylation of olefins in the presence of palladium catalyst.
• To study the dynamics of the intramolecular charge-transfer (ICT) reaction of 4-(dimethylamino)benzonitrile.

General description

Acetonitrile (MeCN), an aliphatic nitrile, is a colorless liquid with a pleasant odor. It is widely used as a solvent and intermediate in organic syntheses. It is transparent to UV-visible light, making it highly applicable in spectrophotometric and fluorimetric techniques. As MeCN has low viscosity, high elution strength and is highly miscible in water, it is utilized as a mobile phase component in many chromatographic techniques. It also plays a major role as an extractant medium in liquid-liquid extraction, solid-phase extraction or microextraction. Its infrared spectrum has been recorded. Synthesis of alkyl hydroperoxides in MeCN by alkane oxidation with hydrogen peroxide in the presence of iron complexes has been studied. The hydrogenation of MeCN to form ethylamine using Co-B amorphous alloy catalyst has been investigated.

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Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN 1648 3 / PGII
WGK Germany 
2
RTECS 
AL7700000
Flash Point(F) 
35.6 °F
Flash Point(C) 
2 °C
Protocols & Articles
Peer-Reviewed Papers
15

References

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