1.15500

Acetonitrile

≥ 99,0 % (HPLC), for preparative purposes, synthesis, cleaning, extraction and analytical purposes, EMPLURA^®

• Synonym(s): Methyl cyanide, Anhydrous ACN, Dry MeCN
• Linear Formula: CH₃CN
• CAS Number: 75-05-8
• Molecular Weight: 41.05
• NACRES: NA.21
• EC Index Number: 200-835-2
• UNSPSC Code: 12191502
• MDL number: MFCD00001878
• Beilstein/REAXYS Number: 741857
• Assay: ≥90% (HPLC)
• Grade: synthesis grade
• Bp: 81-82 °C (lit.)
• Vapor pressure: 72.8 mmHg ( 20 °C), 97 hPa ( 20 °C)

Properties

• Product Name: Acetonitrile, EMPLURA^®, for preparative purposes
• grade: synthesis grade
• Quality Segment: 100, 200
• vapor density: 1.41 (vs air)
• vapor pressure: 72.8 mmHg ( 20 °C), 97 hPa ( 20 °C)
• description: for analytical purposes, for extraction
• product line: EMPLURA^®
• assay: ≥90% (HPLC)
• form: liquid
• autoignition temp.: 524 °C, 973 °F
• expl. lim.: 16 %
• manufacturer/tradename: Calbiochem^®
• dilution: (low-cost alternative, for basic applications)
• impurities: ≤0.00016 meq/g Acidity, ≤0.5% Water
• evapn. residue: ≤0.005%
• refractive index: n20/D 1.344 (lit.)
• bp: 81-82 °C (lit.)
• mp: −45 °C (lit.)
• transition temp: flash point 2 °C
• density: 0.786 g/mL at 25 °C (lit.)
• application(s): environmental; food and beverages; industrial qc; pharmaceutical
• format: neat
• SMILES string: CC#N
• shipped in: ambient
• storage temp.: −20°C
• InChI: 1S/C2H3N/c1-2-3/h1H3
• InChI key: WEVYAHXRMPXWCK-UHFFFAOYSA-N

Description

General description

EMPLURA^® is our low-cost alternative to high-purity qualities. With EMPLURA we offer a range of solvents for a plurality of basic applications in non-regulated industries and for less demanding applications, preparative laboratory work and cleaning purposes. EMPLURA solvents provide adequate specifications with the most important parameters.

Application

• Electroanalysis and Spectroelectrochemistry: Acetonitrile is widely used in electroanalysis and spectroelectrochemistry due to its excellent solvent properties and compatibility with a variety of electrodes. Recent research has demonstrated its use in the electroanalysis of nonaromatic explosives in the presence of dissolved oxygen. This application enhances the sensitivity and accuracy of detecting explosive compounds, which is critical for environmental monitoring and safety assessments (Holubowitch et al., Analytical Chemistry, 2020).


• 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).

Analysis Note

Purity (GC): ≥ 99.0 %
Identity (IR): conforms
Acidity: ≤ 0.00016 meq/g
Density (d 20 °C/ 4 °C): 0.782 - 0.783
Evaporation residue: ≤ 0.005 %
Water: ≤ 0.5 %

Legal Information

CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany

EMPLURA is a registered trademark of Merck KGaA, Darmstadt, Germany

Disclaimer

Toxicity: Standard Handling (A)

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
• flash_point_c: 2.0 °C - closed cup
• flash_point_f: 35.6 °F - closed cup