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CN34892

Sigma-Aldrich

Acetonitrile

Preparateur, ≥99.9% (GC), Customized plastic drum

Synonym(s):

ACN, Cyanomethane, Ethyl nitrile, Methyl cyanide

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About This Item

Linear Formula:
CH3CN
CAS Number:
75-05-8
Molecular Weight:
41.05
Beilstein/REAXYS Number:
741857
EC Number:
200-835-2
MDL number:
MFCD00001878
UNSPSC Code:
12352200
PubChem Substance ID:
329798433

vapor density

1.41 (vs air)

vapor pressure

72.8 mmHg ( 20 °C)

assay

≥99.9% (GC)

form

liquid

autoignition temp.

973 °F

expl. lim.

16 %

impurities

≤0.005% free acid (as CH3COOH)
≤0.02% water (Karl Fischer)
≤1 mg/L non-volatile matter

color

colorless

transmittance

200 nm, >50%
220 nm, >90%

refractive index

n20/D 1.344 (lit.)

bp

81-82 °C (lit.)

mp

−45 °C (lit.)

density

0.786 g/mL at 25 °C (lit.)

format

neat

SMILES string

CC#N

InChI

1S/C2H3N/c1-2-3/h1H3

InChI key

WEVYAHXRMPXWCK-UHFFFAOYSA-N

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General description

Acetonitrile (MeCN), an aliphatic nitrile, is a colorless liquid with a characteristic odor. MeCN has low viscosity, high elution strength and is highly miscible in water. It is widely used as a solvent and intermediate in organic syntheses and is transparent to UV-visible light, making it highly applicable in spectrophotometric and fluorimetric techniques. It also plays a major role as an extractant medium in liquid-liquid extraction, solid-phase extraction or microextraction.

Application

Acetonitrile may be used as solvent in the following processes:
  • Organic synthesis
  • Liquid-liquid extraction, solid-phase extraction or microextraction.
  • Spectrophotometric and fluorimetric techniques.
  • Electrolytes in lithium-ion batteries
  • Determination of pKa values of organic superbases using the isodensity polarization continuum model (IPCM).

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pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk_germany

WGK 2

flash_point_f

35.6 °F - closed cup

flash_point_c

2.0 °C - closed cup

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Basicity of some organic superbases in acetonitrile.
Kovacevic B and Maksic ZB.
Organic Letters, 3(10), 1523-1526 (2001)
Dynamics of ultrafast intramolecular charge transfer with 4-(dimethylamino) benzonitrile in acetonitrile.
Druzhinin SI, et al.
The Journal of Physical Chemistry A, 110(9), 2955-2969 (2006)
Cerium (III) chloride promoted highly regioselective ring opening of epoxides and aziridines using NaN3 in acetonitrile: a facile synthesis of 1,2-azidoalcohols and 1,2-azidoamines.
Sabitha G, et al.
Organic Letters, 4(3), 343-345 (2002)
Palladium-Catalyzed Oxidative Arylalkylation of Activated Alkenes: Dual C-H Bond Cleavage of an Arene and Acetonitrile.
Wu T, et al.
Angewandte Chemie (International Edition in English), 50(52), 12578-12581 (2011)
Infrared spectra of acetonitrile and acetonitrile-d3.
Pace EL and Noe LJ.
J. Chem. Phys., 49, 5317-5325 (1968)
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