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271004

Sigma-Aldrich

Acetonitrile

anhydrous, 99.8%

Synonym(s):
ACN, Cyanomethane, Ethyl nitrile, Methyl cyanide
Linear Formula:
CH3CN
CAS Number:
Molecular Weight:
41.05
Beilstein:
741857
EC Number:
MDL number:
eCl@ss:
39031501
PubChem Substance ID:
NACRES:
NA.21

grade

anhydrous

Quality Level

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 %

technique(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

InChI key

WEVYAHXRMPXWCK-UHFFFAOYSA-N

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General description

Acetonitrile, an aliphatic nitrile, is widely used as an organic solvent and intermediate in organic syntheses.[30] 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.[73]

Application

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.
[79]
  • Cyano-bearing indolinones by oxidative arylalkylation of olefins in the presence of palladium catalyst.
  • [80]
    It may also be used as a reactant to synthesize:
    • Bis (diphenylphosphino) acetonitrile by reacting with n-butyllithium and then with chlorodiphenylphosphine.
    [01]
  • β-Acetamido ketones via coupling reaction with ketones or ketoesters and aldehydes in the presence of cobalt(II) chloride.
  • [02]

    Packaging

    100, 12×100 mL in Sure/Seal™
    1, 6×1, 2, 4×2 L in Sure/Seal™
    18 L in Pure-Pac™ 1
    20, 50 L in Pure-Pac™ 2
    200 L in Pure-Pac™ 1

    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

    Certificate of Analysis

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    Certificate of Origin

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