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439134 Sigma-Aldrich

Acetonitrile

for HPLC, gradient grade, ≥99.9%

Synonym: ACN, Cyanomethane, Ethyl nitrile, Methyl cyanide

  • CAS Number 75-05-8

  • Linear Formula CH3CN

  • Molecular Weight 41.05

  •  Beilstein/REAXYS Number 741857

  •  EC Number 200-835-2

  •  MDL number MFCD00001878

  •  PubChem Substance ID 329756422

  •  NACRES NA.03

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Properties

Related Categories Acetonitrile and Acetonitrile Solutions, Composite Drums, Drums Product Line, HPLC Gradient, HPLC Gradient Grade Solvents,
Quality Level   100
grade   for HPLC
  gradient grade
vapor density   1.41 (vs air)
vapor pressure   72.8 mmHg ( 20 °C)
assay   ≥99.9%
form   liquid
autoignition temp.   973 °F
purified by   sub-micron filtration
expl. lim.   16 %
HPLC gradient analysis   ≤0.5 mAU (@254 nm)
  ≤3 mAU, @ 210 nm
baseline drift at 210 nm   ≤15 mAU
application(s)   HPLC: suitable
  UV/Vis spectroscopy: suitable
impurities   ≤0.0002% free alkali (as NH3)
  ≤0.001% free acid (as CH3COOH)
  ≤0.01% water (Karl Fischer)
  ≤0.5 ppb quinine fluor., 365 nm
  ≤1 ppb quinine fluor., 254 nm
evapn. residue   <0.0002%
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.)
λ   H2O reference
UV absorption   λ: 195 nm Amax: ≤0.12
  λ: 200 nm Amax: ≤0.032
  λ: 230 nm Amax: ≤0.0044
Featured Industry   Food and Beverages
SMILES string   CC#N
InChI   1S/C2H3N/c1-2-3/h1H3
InChI key   WEVYAHXRMPXWCK-UHFFFAOYSA-N

Description

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.

Packaging

1, 4, 4×4 L in PVC-coated bottle

18 L in VerSA-Flow™

2×10 L in Nowpak™

20 L in Nowpak™

20 L in Nowpak™ II

Preparation Note

Product filtered through a 0.2 μm filter

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Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
RIDADR 
UN 1648 3 / PGII
WGK Germany 
WGK 2
RTECS 
AL7700000

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles

Articles

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...

Peer-Reviewed Papers
15

References

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