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Merck
모든 사진(1)

주요 문서

CN34891

Sigma-Aldrich

Acetonitrile

≥99.9% (GC), suitable for solid phase extraction (SPE)

동의어(들):

ACN, Cyanomethane, Ethyl nitrile, Methyl cyanide

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About This Item

Linear Formula:
CH3CN
CAS Number:
Molecular Weight:
41.05
Beilstein:
741857
EC Number:
MDL number:
UNSPSC 코드:
12352001
PubChem Substance ID:
분석:
≥99.9% (GC)
기술:
solid phase extraction (SPE): suitable
bp:
81-82 °C (lit.)
vapor pressure:
72.8 mmHg ( 20 °C)

제품명

Acetonitrile, Preparateur, ≥99.9% (GC), One-time steel-plastic (SP) drum

vapor density

1.41 (vs air)

vapor pressure

72.8 mmHg ( 20 °C)

분석

≥99.9% (GC)

양식

liquid

autoignition temp.

973 °F

expl. lim.

16 %

기술

solid phase extraction (SPE): suitable

불순물

≤0.005% free acid (as CH3COOH)
≤0.02% water (Karl Fischer)
≤1 mg/L non-volatile matter

색상

colorless

투과

200 nm, >50%
220 nm, >90%

refractive index

n20/D 1.344 (lit.)

bp

81-82 °C (lit.)

mp

−45 °C (lit.)

density

0.786 g/mL at 25 °C (lit.)

형식

neat

SMILES string

CC#N

InChI

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

InChI key

WEVYAHXRMPXWCK-UHFFFAOYSA-N

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일반 설명

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. It also plays a major role as an extractant medium in liquid-liquid extraction, solid-phase extraction or microextraction. 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.

애플리케이션

Acetonitrile may be used as solvent in the following processes:
  • Determination of pKa values of organic superbases using the isodensity polarization continuum model (IPCM).
  • Preparation of 1,2-azidoalcohols and 1,2-azidoamines via cerium(III) chloride assisted ring opening of epoxides and aziridines by sodium azide.
  • Synthesis of cyano-bearing indolinones by oxidative arylalkylation of olefins in the presence of palladium catalyst.
  • To study the dynamics of the intramolecular charge-transfer (ICT) reaction of 4-(dimethylamino)benzonitrile.

픽토그램

FlameExclamation mark

신호어

Danger

유해 및 위험 성명서

Hazard Classifications

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point (°F)

35.6 °F - closed cup

Flash Point (°C)

2.0 °C - closed cup


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문서 라이브러리 방문

Palladium-Catalyzed Oxidative Arylalkylation of Activated Alkenes: Dual C-H Bond Cleavage of an Arene and Acetonitrile.
Wu T, et al.
Angewandte Chemie (International Edition in English), 50(52), 12578-12581 (2011)
Cerium (III) chloride promoted highly regioselective ring opening of epoxides and aziridines using NaN3 in acetonitrile: a facile synthesis of 1,2-azidoalcohols and 1,2-azidoamines.
Sabitha G, et al.
Organic Letters, 4(3), 343-345 (2002)
Basicity of some organic superbases in acetonitrile.
Kovacevic B and Maksic ZB.
Organic Letters, 3(10), 1523-1526 (2001)
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)
Infrared spectra of acetonitrile and acetonitrile-d3.
Pace EL and Noe LJ.
J. Chem. Phys. , 49, 5317-5325 (1968)

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