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675415

Sigma-Aldrich

Acétonitrile

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

Synonyme(s) :

ACN, Cyanométhane, Cyanure de méthyle, Éthylnitrile

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About This Item

Formule linéaire :
CH3CN
Numéro CAS:
Poids moléculaire :
41.05
Numéro Beilstein :
741857
Numéro CE :
Numéro MDL:
Code UNSPSC :
12190000
ID de substance PubChem :

product name

Acétonitrile, HPLC Plus, ≥99.9%, poly-coated bottles

Qualité

HPLC Plus

Niveau de qualité

Densité de vapeur

1.41 (vs air)

Pression de vapeur

72.8 mmHg ( 20 °C)

Pureté

≥99.9%

Forme

liquid

Température d'inflammation spontanée

525 °F
973 °F

Limite d'explosivité

16 %

Technique(s)

HPLC: suitable

Impuretés

≤0.01% water

Résidus d'évap.

≤0.0002%

Couleur

colorless

Indice de réfraction

n20/D 1.344 (lit.)

Point d'ébullition

81-82 °C (lit.)

Pf

−45 °C (lit.)

Solubilité

water: soluble

Densité

0.786 g/mL at 25 °C (lit.)

Absorption

≤1 mAU at 210 nm

Absorption UV

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

Chaîne SMILES 

CC#N

InChI

1S/C2H3N/c1-2-3/h1H3

Clé InChI

WEVYAHXRMPXWCK-UHFFFAOYSA-N

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Description générale

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).


Pictogrammes

FlameExclamation mark

Mention d'avertissement

Danger

Classification des risques

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2

Code de la classe de stockage

3 - Flammable liquids

Classe de danger pour l'eau (WGK)

WGK 2

Point d'éclair (°F)

35.6 °F - closed cup

Point d'éclair (°C)

2.0 °C - closed cup

Équipement de protection individuelle

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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Consulter la Bibliothèque de documents

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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