675415

Sigma-Aldrich

Acetonitrile

HPLC Plus, ≥99.9%, poly-coated bottles

Synonym(s):
Cyanomethane, Methyl cyanide, ACN, Ethyl nitrile
Linear Formula:
CH3CN
CAS Number:
Molecular Weight:
41.05
Beilstein/REAXYS Number:
741857
EC Number:
MDL number:
PubChem Substance ID:

Quality Level

grade

HPLC Plus

vapor density

1.41 (vs air)

vapor pressure

72.8 mmHg ( 20 °C)

assay

≥99.9%

form

liquid

autoignition temp.

525 °F
973 °F

expl. lim.

16 %

application(s)

HPLC: suitable

impurities

≤0.01% water

evapn. residue

≤0.0002%

color

colorless

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.)

absorption

≤1 mAU at 210 nm

UV absorption

λ: 195 nm Amax: ≤0.10
λ: 200 nm Amax: ≤0.02
λ: 228 nm Amax: ≤0.005

Featured Industry

Food and Beverages

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 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. 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.

Packaging

4, 4×4 L in PVC-coated bottle

Pictograms

FlameExclamation mark

Signal Word

Danger

hazcat

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 Germany

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

Certificate of Origin

Infrared spectra of acetonitrile and acetonitrile-d3.
Pace EL and Noe LJ.
J. Chem. Phys., 49, 5317-5325 (1968)
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)
Purification of acetonitrile.
Walter M and Ramaley L.
Analytical Chemistry, 45(1), 165-166 (1973)
Acetonitrile, the polarity chameleon.
Zarzycki PK, et al.
Analytical and Bioanalytical Chemistry, 397(3), 905-908 (2010)

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