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Merck
CN

CN34891

Acetonitrile

≥99.9% (GC), suitable for solid phase extraction (SPE)

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
UNSPSC Code:
12352001
PubChem Substance ID:
329798432
EC Number:
200-835-2
Beilstein/REAXYS Number:
741857
MDL number:
MFCD00001878
Assay:
≥99.9% (GC)
Technique(s):
solid phase extraction (SPE): suitable
Bp:
81-82 °C (lit.)
Vapor pressure:
72.8 mmHg ( 20 °C)

Key Documents

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Product Name

Acetonitrile, Preparateur, ≥99.9% (GC), One-time steel-plastic (SP) drum

InChI key

WEVYAHXRMPXWCK-UHFFFAOYSA-N

InChI

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

SMILES string

CC#N

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 %

technique(s)

solid phase extraction (SPE): suitable

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

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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.

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

WGK 2

flash_point_f

35.6 °F - closed cup

flash_point_c

2.0 °C - closed cup

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
WXBF2529V
WXBD7561V
WXBD6405V
WXBD6014V
WXBD5856V

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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)
Hydrogen peroxide oxygenation of alkanes including methane and ethane catalyzed by iron complexes in acetonitrile.
Shul'pin GB, et al.
Advanced Synthesis & Catalysis, 346(2-3), 317-332 (2004)
Liquid phase hydrogenation of acetonitrile to ethylamine over the Co-B amorphous alloy catalyst.
Li H, et al.
J. Catal., 214(1), 15-25 (2003)
Basicity of some organic superbases in acetonitrile.
Kovacevic B and Maksic ZB.
Organic Letters, 3(10), 1523-1526 (2001)
Eagleson M.
Concise Encyclopedia Chemistry, 6-6 (1994)
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