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271004 Sigma-Aldrich

Acetonitrile

anhydrous, 99.8%

Synonym: ACN, Methyl cyanide

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Properties

Related Categories Acetonitrile and Acetonitrile Solutions, Anhydrous, Anhydrous Solvents, Returnable Containers, Solvent by Type,
grade   anhydrous
vapor density   1.41 (vs air)
vapor pressure   72.8 mmHg ( 20 °C)
InChI Key   WEVYAHXRMPXWCK-UHFFFAOYSA-N
assay   99.8%
form   liquid
autoignition temp.   973 °F
expl. lim.   16 %
impurities   <0.001% water
  <0.005% water (100 mL pkg)
evapn. residue   <0.0005%
color   colorless
refractive index   n20/D 1.344(lit.)
bp   81-82 °C(lit.)
mp   −48 °C(lit.)
solubility   water: soluble (completely)
density   0.786 g/mL at 25 °C(lit.)

Description

Packaging

1, 6×1, 2, 4×2 L in Sure/Seal™

18 L in Pure-Pac™ 1

20, 50 L in Pure-Pac™ 2

View returnable container options.

100, 12×100 mL in Sure/Seal™

200 L in Pure-Pac™ 1

Application

Acetonitrile may be used as a solvent to prepare:
• 1,2-Azidoalcohols and 1,2-azidoamines via cerium(III) chloride assisted ring opening of epoxides and aziridines by sodium azide.
• Cyano-bearing indolinones by oxidative arylalkylation of olefins in the presence of palladium catalyst.

It may also be used as a reactant to synthesize:
• Bis (diphenylphosphino) acetonitrile by reacting with n-butyllithium and then with chlorodiphenylphosphine.
• β-Acetamido ketones via coupling reaction with ketones or ketoesters and aldehydes in the presence of cobalt(II) chloride.

General description

Acetonitrile, an aliphatic nitrile, is widely used as an organic solvent and intermediate in organic syntheses. It is transparent to UV-visible light, which makes it highly applicable in spectrophotometric and fluorimetric techniques. MeCN is utilized as a mobile phase component in many chromatographic techniques, due to its low viscosity, high elution strength and miscibility in water. It also plays a major role as an extractant medium in liquid-liquid extraction, solid-phase extraction or microextraction.

Price and Availability


LC-MS Grade Solvents and Reagents
Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
RIDADR 
UN 1648 3 / PGII
WGK Germany 
2
RTECS 
AL7700000
Flash Point(F) 
35.6 °F
Flash Point(C) 
2 °C

Documents

Certificate of Analysis

Certificate of Origin

Protocols & Articles

Articles

A Mild and Efficient Palladium-Catalyzed Cyanation of Aryl Chlorides with K4[Fe(CN)6]

The cross-coupling reactions of allylboronic acid pinacol ester derivatives with aryl and heteroaryl halides occurred with high selectivity (>97%) at the ?-carbon of the allylboron reagent in the pre...
Keywords: Chromatography, Coupling reactions, Cross couplings, Flash chromatography

Ligand-Controlled Palladium-Catalyzed Regiodivergent Suzuki- Miyaura Cross-Coupling of Allylboronates and Aryl Halides-

Pd-PEPPSI-IPent has proven to be an excellent catalyst for the Negishi cross-coupling reaction of secondary alkylzinc reagents with a wide variety of aryl/heteroaryl halides. Importantly, b-hydride e...
Keywords: Chromatography, Coupling reactions, Cross couplings, Eliminations, Flash chromatography, Ligands, Nuclear magnetic resonance spectroscopy, Purification

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

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Pressure-Temperature Nomograph Interactive Tool

The Pressure-Temperature Nomograph tool is an application of the Clausius-Clapeyron Equation, which assumes the heat of vaporization is a constant over a pressure range. Antoine´s Equation gets aroun...
Keywords: Evaporation, Vaporization

Properties of Solvents Table

a. Gant, R., LC/GC 10(7), 515 (1992) 1. At 20 °C 2. At 20 °C +/- 5 °C relative to water at 4 °C 3. At 10mmHg pressure 4. At l=589.32nm
Keywords: Gas chromatography, High performance liquid chromatography

Peer-Reviewed Papers
15

References

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