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6.18300

Sigma-Aldrich

Acetonitrile

for chromatography (gradient grade 2.5)

Synonym(s):

Acetonitrile, 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 (gradient grade 2.5)
Assay:
≥99.9% (GC)
technique(s):
HPLC: suitable
application(s):
general analytical
bp:
81-82 °C (lit.)
vapor pressure:
72.8 mmHg ( 20 °C)

grade

for chromatography (gradient grade 2.5)

Quality Level

100

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: 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 commonly used as a key component in the mobile phase for gradient elution chromatography. It is used 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 mobile phase:
  • Buffer in the liquid chromatographic method for determination of polyamines, amino acids, metanephrines, and catecholamine compounds in human body fluids.
  • Component to facilitate the fast gradient elution separations of polar neutral active pharmaceutical ingredients (APIs).

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)
Fast gradient screening of pharmaceuticals with 5 cm long, narrow bore reversed-phase columns packed with sub-3 ?m core?shell and sub-2 ?m totally porous particles
Fekete S, et al.
Talanta, 84(2), 416-423 (2011)

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