CN34891

Acetonitrile

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

• Synonym(s): ACN, Cyanomethane, Ethyl nitrile, Methyl cyanide
• Linear Formula: CH₃CN
• CAS Number: 75-05-8
• Molecular Weight: 41.05
• Beilstein/REAXYS Number: 741857
• EC Number: 200-835-2
• MDL number: MFCD00001878
• UNSPSC Code: 12352001
• PubChem Substance ID: 329798432

Properties

• product name: Acetonitrile, Preparateur, ≥99.9% (GC), One-time steel-plastic (SP) drum
• 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
• SMILES string: CC#N
• InChI: 1S/C2H3N/c1-2-3/h1H3
• InChI key: WEVYAHXRMPXWCK-UHFFFAOYSA-N

Description

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.

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.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H302 + H312 + H332,H319
• pcodes: P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338
• 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_germany: WGK 2
• flash_point_f: 35.6 °F - closed cup
• flash_point_c: 2.0 °C - closed cup