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6.18030

Sigma-Aldrich

Acetonitrile

for chromatography

Synonym(s):

ACN, Cyanomethane, Ethyl nitrile, Methyl cyanide

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About This Item

Linear Formula:
CH3CN
CAS Number:
75-05-8
Molecular Weight:
41.05
Beilstein:
741857
MDL number:
MFCD00001878
UNSPSC Code:
12191502
grade:
for chromatography
Assay:
≥99.8% (GC)
technique(s):
HPLC: suitable
application(s):
general analytical
bp:
81-82 °C (lit.)
vapor pressure:
72.8 mmHg ( 20 °C)

grade

for chromatography

Quality Level

100

vapor density

1.41 (vs air)

vapor pressure

72.8 mmHg ( 20 °C)

Assay

≥99.8% (GC)

form

liquid

autoignition temp.

973 °F

expl. lim.

16 %

technique(s)

HPLC: suitable

refractive index

n20/D 1.344 (lit.)

bp

81-82 °C (lit.)

mp

−45 °C (lit.)

solubility

water: soluble (1,000 g/l at 25 °C (77 °F))

density

0.786 g/mL at 25 °C (lit.)

application(s)

general analytical

SMILES string

CC#N

InChI

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

InChI key

WEVYAHXRMPXWCK-UHFFFAOYSA-N

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General description

Acetonitrile is a commonly used mobile phase component in various chromatographic techniques, such as high-performance liquid chromatography (HPLC) and liquid chromatography-mass spectrometry(LC-MS).

Application

Acetonitrile can be used as a:
  • Eluent solvent in the chromatographic separation of the PGQ9I peptide.
  • Extraction solvent in the development of a modified QuEChERS (Quick, Easy, Cheap,Effective, Rugged, and Safe) method for the determination of ametoctradin residue in fruits and vegetables using the UPLC-MS/MS method.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

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

Regulatory Information

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Development and validation of a liquid chromatography-tandem mass spectrometry (LC-MS/MS) procedure for screening of urine specimens for 100 analytes relevant in drug-facilitated crime (DFC)
Remane D, et al.
Analytical and Bioanalytical Chemistry, 406, 4411-4424 (2014)
Liquid chromatography method for simultaneous analysis of amino acids and biogenic amines in biological fluids with simultaneous gradient of pH and acetonitrile
Lozanov V, et al.
Journal of chromatography, 860(1), 92-97 (2007)
Anhydrous trifluoroacetic acid pretreatment converts insoluble polyglutamine peptides to soluble monomers
Burra G, et al.
Data in Brief, 5, 1066-1071 (2015)
Determination of ametoctradin residue in fruits and vegetables by modified quick, easy, cheap, effective, rugged, and safe method using ultra-performance liquid chromatography/tandem mass spectrometry
Hu M, et al.
Food Chemistry, 175, 395-400 (2015)

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