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437557 Sigma-Aldrich

Acetonitrile

≥99.5%, ACS reagent

Synonym: ACN, Cyanomethane, Ethyl nitrile, Methyl cyanide

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Properties

Related Categories ACS Grade, ACS Grade Solvents, ACS and Reagent Grade Solvents, Acetonitrile and Acetonitrile Solutions, PVC Coated Bottles,
Quality Level   200
grade   ACS reagent
vapor density   1.41 (vs air)
vapor pressure   72.8 mmHg ( 20 °C)
assay   ≥99.5%
form   liquid
autoignition temp.   973 °F
expl. lim.   16 %
application(s)   solid phase extraction (SPE): suitable
impurities   ≤0.3% water
  ≤0.6 μeq/g Titr. base
  ≤8 μeq/g Titr. acid
evapn. residue   ≤0.005%
color   APHA: ≤10
refractive index   n20/D 1.344 (lit.)
bp   81-82 °C (lit.)
mp   −45 °C (lit.)
solubility   water: soluble
density   0.786 g/mL at 25 °C (lit.)
SMILES string   CC#N
InChI   1S/C2H3N/c1-2-3/h1H3
InChI key   WEVYAHXRMPXWCK-UHFFFAOYSA-N

Description

General description

Acetonitrile (MeCN) is widely employed as a solvent in various studies and has high dielectric constant (37.5). Various purification procedures to obtain different grades of acetonitrile for use in different studies (polarography, spectroscopy, etc.) have been reported by many researchers.

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.

Application

Acetonitrile (MeCN) may be used as solvent in the following processes:
• Determination of pKa values of organic superbases using 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 intramolecular charge-transfer (ICT) reaction of 4-(dimethylamino)benzonitrile.

Acetonitrile may be employed as a solvent for the quantification of vitamin D metabolites, 25-hydroxyvitamin D2 [25(OH)D2] and D3 [25(OH)D3] by HPLC.

Packaging

4×4 L in PVC-coated bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
RIDADR 
UN 1648 3 / PGII
WGK Germany 
WGK 2
RTECS 
AL7700000
Flash Point(F) 
42.8 °F - closed cup
Flash Point(C) 
6.0 °C - closed cup
Protocols & Articles

Articles

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Peer-Reviewed Papers
15

References

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