675415

Acetonitrile

≥99.9%, HPLC Plus, suitable for HPLC, poly-coated bottles

• 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: 57652093

Properties

• product name: Acetonitrile, HPLC Plus, ≥99.9%, poly-coated bottles
• grade: HPLC Plus
• Quality Level: 100
• 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 %
• technique(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 A_max: ≤0.10; λ: 200 nm A_max: ≤0.02; λ: 228 nm A_max: ≤0.005
• 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

• Anthocyanin Separation: Acetonitrile is employed in high-performance liquid chromatography (HPLC) for the selective separation of anthocyanins. Studies have demonstrated the benefits of replacing acetonitrile with methanol in the mobile phase to control the selectivity and improve the resolution of anthocyanin separation, providing a more sustainable approach to chromatographic analysis (Deineka et al., Journal of Analytical Chemistry, 2021).


• Detection of α-Amino Acids: Acetonitrile is used in the development of chemiluminescence methods for detecting α-amino acids. A mixed solution of water, acetonitrile, and ethyl acetate has been shown to enhance the sensitivity and accuracy of amino acid detection, making it a valuable tool for biochemical and clinical analyses (Kan et al., American Journal of Analytical Chemistry, 2020).


• Electrochemical Detection of Biomarkers: Acetonitrile is utilized in the electrochemical detection of biomarkers such as 5-formyluracil. Labeling with (2-benzimidazolyl) acetonitrile enhances the selectivity and sensitivity of the detection, making it an important method for biomedical research and diagnostics (Tang et al., Analytical Chemistry, 2021).


• Ligand-Assisted Excitation of Europium Complexes: Acetonitrile is used in studying the ligand-assisted excitation of Eu(III) complexes. The interaction of europium complexes with xenon difluoride in acetonitrile solution provides insights into their photophysical properties, which are essential for developing luminescent materials for various applications, including lighting and display technologies (Masyagutova et al., Journal of Fluorine Chemistry, 2024).

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
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter