439134

Acetonitrile

≥99.9%, gradient grade, suitable for UV/Vis spectroscopy, 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: 12190000
• PubChem Substance ID: 329756422
• NACRES: NA.03

Properties

• product name: Acetonitrile, suitable for HPLC, gradient grade, ≥99.9%
• grade: gradient grade
• Quality Level: 100
• vapor density: 1.41 (vs air)
• vapor pressure: 72.8 mmHg ( 20 °C)
• description: HPLC gradient analysis <= 0.5 mAU @254 nm; HPLC gradient analysis <= 3 mAU @ 210 nm; baseline drift at 210 nm <= 15 mAU
• assay: ≥99.9%
• form: liquid
• autoignition temp.: 973 °F
• purified by: sub-micron filtration
• expl. lim.: 16 %
• technique(s): HPLC: suitable; UV/Vis spectroscopy: suitable
• impurities: ≤0.0002% free alkali (as NH₃); ≤0.001% free acid (as CH₃COOH); ≤0.01% water (Karl Fischer); ≤0.5 ppb quinine fluor., 365 nm; ≤1 ppb quinine fluor., 254 nm
• evapn. residue: <0.0002%
• 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.)
• λ: H₂O reference
• UV absorption: λ: 195 nm A_max: ≤0.12; λ: 200 nm A_max: ≤0.032; λ: 230 nm A_max: ≤0.0044
• application(s): food and beverages
• 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. 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

• Chromatographic Separation of Anthocyanins: Acetonitrile is a preferred solvent in high-performance liquid chromatography (HPLC) for the separation of anthocyanins and other phenolic compounds. Studies have explored the selectivity control of anthocyanin separation by replacing acetonitrile with methanol in the mobile phase, highlighting the solvent′s role in optimizing chromatographic conditions for improved resolution and detection sensitivity (Deineka et al., Journal of Analytical Chemistry, 2021).


• Peroxyoxalate Chemiluminescence Detection: Acetonitrile is used in peroxyoxalate chemiluminescence for the detection of α-amino acids. The solvent′s ability to form stable mixed solutions with water and ethyl acetate enhances the chemiluminescence reaction, allowing for sensitive and selective detection of amino acids in various samples. This application is essential for biochemical and clinical analyses (Kan et al., American Journal of Analytical Chemistry, 2020).


• Electrochemical Detection of DNA Modifications: Acetonitrile is utilized in electrochemical methods for detecting DNA modifications, such as 5-formyluracil. The solvent′s role in stabilizing the (2-benzimidazolyl) acetonitrile labeling reaction enhances the selectivity and sensitivity of detecting DNA modifications, which is crucial for genomic and biomedical research (Tang et al., Analytical Chemistry, 2021).


• Alternative Solvent in Chromatography: Research has investigated replacing acetonitrile with ethanol in reversed-phase HPLC for determining anthocyanins. This substitution aims to maintain chromatographic performance while reducing the environmental impact and costs associated with acetonitrile use. The findings demonstrate the feasibility of using ethanol as a greener alternative without compromising analytical quality (Deineka et al., Journal of Analytical Chemistry, 2023).

Preparation Note

Product filtered through a 0.2 μm filter

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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