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Acetonitrile

OmniSolv® LC-MS

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Synonym(s):
ACN, Cyanomethane, Ethyl nitrile, Methyl cyanide
Linear Formula:
CH3CN
CAS Number:
75-05-8
Molecular Weight:
41.05
Beilstein:
741857
MDL number:
MFCD00001878
EC Index Number:
200-835-2

Agency

suitable for ASTM® 7968
suitable for ASTM® 7979
suitable for DIN 38407-42
suitable for EPA 1633
suitable for EPA 8327
suitable for GB 31604.35-2016
suitable for GB 5009.253-2016
suitable for ISO 21675 2019

Quality Level

100

reg. compliance

suitable for FDA C-010.02

vapor density

1.41 (vs air)

vapor pressure

72.8 mmHg ( 20 °C)
97 hPa ( 20 °C)

product line

OmniSolv®

Assay

≥99.9% (GC)

form

liquid

autoignition temp.

973 °F

expl. lim.

16 %

technique(s)

LC/MS: suitable

impurities

≤0.02% Water (H2O)
≤0.5 μeq/g Titrable base
≤1 μeq/g Titrable acid
≤50 ppb p-nitrophenol (LC/MS)
≤50 ppb reserpine (LC/MS)

evapn. residue

≤1 ppm

color

APHA: ≤10

refractive index

n20/D 1.344 (lit.)

bp

81-82 °C (lit.)

mp

−45 °C (lit.)

transition temp

flash point 2 °C

density

0.786 g/mL at 25 °C (lit.)

UV cutoff

≤190 nm

UV absorption

λ: 200 nm Amax: ≤0.1
λ: 210 nm Amax: ≤0.04
λ: 220 nm Amax: ≤0.02
λ: 230 nm Amax: ≤0.01
λ: 240 nm Amax: ≤0.01
λ: 250 nm Amax: ≤0.01
λ: 270 nm Amax: ≤0.01
λ: 400-280 nm Amax: ≤0.005

SMILES string

CC#N

format

neat

shipped in

ambient

storage temp.

room temp

InChI

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

InChI key

WEVYAHXRMPXWCK-UHFFFAOYSA-N

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General description

Acetonitrile is a water-soluble polar organic solvent with exceptional solubilizing power, unique chromatographic properties, and ideal spectroscopic characteristics.

Application

Acetonitrile is used as a:
  • Mobile phase solvent in reversed-phase chromatography.
  • Rinsing solvent for Solid-phase extraction (SPE) column.

Preparation Note

Product filtered through a 0.2 μm filter

Analysis Note

Assay (GC)99.9% minColor (APHA)10APHA maxEvaporation residue1ppm maxFiltered through 0.2 µm filterTo pass testFluorescence as quinine at 254 nm1ppb maxFluorescence as quinine at 365 nm1ppb maxFormClear liquidGradient at 210 nm2mAU maxGradient at 254 nm0.3mAU maxIdentity (IR-spectrum)ConformsLC-MS purity, ESI(+), as reserpine50ppb maxLC-MS purity, ESI(-), as p-nitrophenol50ppb maxMetals, suitable for LC/MSTo pass testTitrable acid1µeq/g maxTitrable base0.5µeq/g maxUV Abs. at 200 nm0.1AU maxUV Abs. at 210 nm0.04AU maxUV Abs. at 220 nm0.02AU maxUV Abs. at 230 nm0.01AU maxUV Abs. at 240 nm0.01AU maxUV Abs. at 250 nm0.01AU maxUV Abs. at 270 nm0.01AU maxUV Abs. at 400-280 nm0.005AU maxUV Cut-off190nm maxWater (H2O)0.02% max

Legal Information

ASTM is a registered trademark of American Society for Testing and Materials
OMNISOLV is a registered trademark of Merck KGaA, Darmstadt, Germany

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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Comparison of the sensitivity of evaporative universal detectors and LC/MS in the HILIC and the reversed-phase HPLC modes.
Clifford M R, et al.
Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences, 877, 4133-4139 (2009)
High-performance liquid chromatographic procedure for the determination of a non-nucleoside HIV-1 reverse transcriptase inhibitor in human plasma.
E W, et al.
Journal of Chromatography. B, Biomedical Sciences and Applications, 577, 129-134 (1992)

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