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Merck
CN

CN34851

Acetonitrile

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

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:
12352200
PubChem Substance ID:
329798431
EC Number:
200-835-2
Beilstein/REAXYS Number:
741857
MDL number:
MFCD00001878
Grade:
gradient grade
Assay:
≥99.90% (GC)
Technique(s):
HPLC: suitable
Bp:
81-82 °C (lit.)
Vapor pressure:
72.8 mmHg ( 20 °C)

Key Documents

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Product Name

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

InChI key

WEVYAHXRMPXWCK-UHFFFAOYSA-N

InChI

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

SMILES string

CC#N

grade

gradient grade

vapor density

1.41 (vs air)

vapor pressure

72.8 mmHg ( 20 °C)

assay

≥99.90% (GC)

form

liquid

autoignition temp.

973 °F

expl. lim.

16 %

baseline drift measuring range

≤15 mAU (210 nm)

technique(s)

HPLC: suitable

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

−45 °C (lit.)

density

0.786 g/mL at 25 °C (lit.)

HPLC-gradient

≤0.5 mAU at 254 nm
≤3 mAU at 210 nm

UV absorption

λ: 195 nm Amax: ≤0.12
λ: 200 nm Amax: ≤0.032
λ: 230 nm Amax: ≤0.0044

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.

Other Notes

Discover LiChropur reagents ideal for HPLC or LC-MS analysis

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
S93031
S93271
S92771
S92671
S92150

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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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