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Sigma-Aldrich

Acetonitrile

≥99.5%, ACS reagent, 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:
Molecular Weight:
41.05
Beilstein:
741857
EC Number:
MDL number:
UNSPSC Code:
12352001
PubChem Substance ID:

product name

Acetonitrile, ≥99.5%, ACS reagent

grade

ACS reagent

Quality Level

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 %

technique(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.)

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).

Features and Benefits

ACS solvents meet or exceed the high standards of the American Chemical Society (ACS) ,with test specifications that are specialized to every compound. According to the American Chemical Society, ACS reagent grade implies that it is a substance of sufficient purity to be used in most chemical analyses or reactions.

Pictograms

FlameExclamation mark

Signal Word

Danger

Hazard Classifications

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

35.6 °F - closed cup

Flash Point(C)

2.0 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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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