CN34851

Acetonitrile

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

• 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: 12352200
• PubChem Substance ID: 329798431
• grade: gradient grade
• assay: ≥99.90% (GC)
• technique(s): HPLC: suitable
• bp: 81-82 °C (lit.)
• vapor pressure: 72.8 mmHg ( 20 °C)

Properties

• Product Name: Acetonitrile, suitable for HPLC, gradient grade, ≥99.90% (GC)
• 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 A_max: ≤0.12; λ: 200 nm A_max: ≤0.032; λ: 230 nm A_max: ≤0.0044
• 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.[1] 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.[2] Its infrared spectrum has been recorded.[3] Synthesis of alkyl hydroperoxides in MeCN by alkane oxidation with hydrogen peroxide in the presence of iron complexes has been studied.[4] The hydrogenation of MeCN to form ethylamine using Co-B amorphous alloy catalyst has been investigated.[5]

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).[6]
• Preparation of 1,2-azidoalcohols and 1,2-azidoamines via cerium(III) chloride assisted ring opening of epoxides and aziridines by sodium azide.[7]
• Synthesis of cyano-bearing indolinones by oxidative arylalkylation of olefins in the presence of palladium catalyst.[8]
• To study the dynamics of the intramolecular charge-transfer (ICT) reaction of 4-(dimethylamino)benzonitrile.[9]

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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