271004

Acetonitrile

99.8%, anhydrous, 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: 741857
• EC Number: 200-835-2
• MDL number: MFCD00001878
• UNSPSC Code: 12191502
• eCl@ss: 39031501
• PubChem Substance ID: 57648217
• NACRES: NA.21

Properties

• product name: Acetonitrile, anhydrous, 99.8%
• grade: anhydrous
• Quality Level: 200
• 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.)
• format: neat
• SMILES string: CC#N
• InChI: 1S/C2H3N/c1-2-3/h1H3
• InChI key: WEVYAHXRMPXWCK-UHFFFAOYSA-N

Description

General description

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

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.
• Cyano-bearing indolinones by oxidative arylalkylation of olefins in the presence of palladium catalyst.

It may also be used as a reactant to synthesize:

• Bis (diphenylphosphino) acetonitrile by reacting with n-butyllithium and then with chlorodiphenylphosphine.
• β-Acetamido ketones via coupling reaction with ketones or ketoesters and aldehydes in the presence of cobalt(II) chloride.

Packaging

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Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Danger
• Hazard Statements: H225,H302 + H312 + H332,H319
• Precautionary Statements: 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 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