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Sigma-Aldrich

Acetonitrile

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

Synonym(s):

ACN, Cyanomethane, Ethyl nitrile, Methyl cyanide

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About This Item

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

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 Amax: ≤0.10
λ: 200 nm Amax: ≤0.02
λ: 228 nm Amax: ≤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

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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).


pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

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

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Infrared spectra of acetonitrile and acetonitrile-d3.
Pace EL and Noe LJ.
J. Chem. Phys., 49, 5317-5325 (1968)
Liquid phase hydrogenation of acetonitrile to ethylamine over the Co-B amorphous alloy catalyst.
Li H, et al.
J. Catal., 214(1), 15-25 (2003)
Hydrogen peroxide oxygenation of alkanes including methane and ethane catalyzed by iron complexes in acetonitrile.
Shul'pin GB, et al.
Advanced Synthesis & Catalysis, 346(2-3), 317-332 (2004)
Eagleson M.
Concise Encyclopedia Chemistry, 6-6 (1994)
Acetonitrile, the polarity chameleon.
Zarzycki PK, et al.
Analytical and Bioanalytical Chemistry, 397(3), 905-908 (2010)
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