271004 Sigma-Aldrich


anhydrous, 99.8%

Synonym: ACN, Cyanomethane, Ethyl nitrile, Methyl cyanide

  • CAS Number 75-05-8

  • Linear Formula CH3CN

  • Molecular Weight 41.05

  •  Beilstein/REAXYS Number 741857

  •  EC Number 200-835-2

  •  MDL number MFCD00001878

  •  eCl@ss 39031501

  •  PubChem Substance ID 57648217

  •  NACRES NA.21



Related Categories Acetonitrile and Acetonitrile Solutions, Anhydrous, Anhydrous Solvents, Returnable Containers, Solvent by Type,
Quality Level   200
grade   anhydrous
vapor density   1.41 (vs air)
vapor pressure   72.8 mmHg ( 20 °C)
assay   99.8%
form   liquid
autoignition temp.   973 °F
expl. lim.   16 %
application(s)   solid phase extraction (SPE): suitable
impurities   <0.001% water
  <0.005% water (100 mL pkg)
evapn. residue   <0.0005%
color   colorless
refractive index   n20/D 1.344 (lit.)
bp   81-82 °C (lit.)
mp   −45 °C (lit.)
solubility   water: soluble (completely)
density   0.786 g/mL at 25 °C (lit.)
SMILES string   CC#N
InChI   1S/C2H3N/c1-2-3/h1H3


General description

Acetonitrile, an aliphatic nitrile, is widely used as an organic solvent and intermediate in organic syntheses. It is transparent to UV-visible light, which makes it highly applicable in spectrophotometric and fluorimetric techniques. MeCN is utilized as a mobile phase component in many chromatographic techniques, due to its low viscosity, high elution strength and miscibility in water. It also plays a major role as an extractant medium in liquid-liquid extraction, solid-phase extraction or microextraction.


Acetonitrile may be used as a solvent to prepare:
• 1,2-Azidoalcohols and 1,2-azidoamines via cerium(III) chloride assisted ring opening of epoxides and aziridines by sodium azide.
• Cyano-bearing indolinones by oxidative arylalkylation of olefins in the presence of palladium catalyst.

It may also be used as a reactant to synthesize:
• Bis (diphenylphosphino) acetonitrile by reacting with n-butyllithium and then with chlorodiphenylphosphine.
• β-Acetamido ketones via coupling reaction with ketones or ketoesters and aldehydes in the presence of cobalt(II) chloride.


1, 6×1, 2, 4×2 L in Sure/Seal™

18 L in Pure-Pac™ 1

20, 50 L in Pure-Pac™ 2

View returnable container options.

100, 12×100 mL in Sure/Seal™

200 L in Pure-Pac™ 1

Safety & Documentation

Safety Information

Signal word 
Hazard statements 
UN 1648 3 / PGII
WGK Germany 
Flash Point(F) 
35.6 °F - closed cup
Flash Point(C) 
2.0 °C - closed cup


Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles


A Mild and Efficient Palladium-Catalyzed Cyanation of Aryl Chlorides with K4[Fe(CN)6]

The cross-coupling reactions of allylboronic acid pinacol ester derivatives with aryl and heteroaryl halides occurred with high selectivity (>97%) at the ?-carbon of the allylboron reagent in the pre...
Keywords: Chromatography, Coupling reactions, Cross couplings, Flash chromatography

Ligand-Controlled Palladium-Catalyzed Regiodivergent Suzuki- Miyaura Cross-Coupling of Allylboronates and Aryl Halides-

Pd-PEPPSI-IPent has proven to be an excellent catalyst for the Negishi cross-coupling reaction of secondary alkylzinc reagents with a wide variety of aryl/heteroaryl halides. Importantly, b-hydride e...
Keywords: Chromatography, Coupling reactions, Cross couplings, Eliminations, Flash chromatography, Ligands, Nuclear magnetic resonance spectroscopy, Purification

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

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Peer-Reviewed Papers


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