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About This Item
Linear Formula:
CH3CN
CAS Number:
Molecular Weight:
41.05
EC Number:
200-835-2
UNSPSC Code:
12191502
PubChem Substance ID:
Beilstein/REAXYS Number:
741857
MDL number:
Assay:
≥99.9% (GC)
Technique(s):
HPLC-GC: suitable
Bp:
81-82 °C (lit.)
Vapor pressure:
72.8 mmHg ( 20 °C)
vapor density
1.41 (vs air)
vapor pressure
72.8 mmHg ( 20 °C)
assay
≥99.9% (GC)
form
liquid
autoignition temp.
973 °F
expl. lim.
16 %
technique(s)
HPLC-GC: suitable
impurities
≤0.005% free acid (as CH3COOH), ≤0.02% water (Karl Fischer), ≤1 mg/L non-volatile matter
color
colorless
transmittance
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.)
application(s)
general analytical
format
neat
SMILES string
CC#N
InChI
1S/C2H3N/c1-2-3/h1H3
InChI key
WEVYAHXRMPXWCK-UHFFFAOYSA-N
General description
Acetonitrile (MeCN), an aliphatic nitrile, is a colorless liquid with a characteristic odor. MeCN has low viscosity, high elution strength and is highly miscible in water. It is widely used as a solvent and intermediate in organic syntheses and is transparent to UV-visible light, making it highly applicable in spectrophotometric and fluorimetric techniques. It also plays a major role as an extractant medium in liquid-liquid extraction, solid-phase extraction or microextraction.
Application
Acetonitrile may be used as solvent in the following processes:
- Organic synthesis
- Liquid-liquid extraction, solid-phase extraction or microextraction.
- Spectrophotometric and fluorimetric techniques.
- Electrolytes in lithium-ion batteries
- Determination of pKa values of organic superbases using the isodensity polarization continuum model (IPCM).
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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
WGK 2
flash_point_f
35.6 °F - closed cup
flash_point_c
2.0 °C - closed cup
Regulatory Information
危险化学品
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Basicity of some organic superbases in acetonitrile.
Kovacevic B and Maksic ZB.
Organic Letters, 3(10), 1523-1526 (2001)
Dynamics of ultrafast intramolecular charge transfer with 4-(dimethylamino) benzonitrile in acetonitrile.
Druzhinin SI, et al.
The Journal of Physical Chemistry A, 110(9), 2955-2969 (2006)
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)

