Acetonitrile

SIGALD/439134 - suitable for HPLC, gradient grade, ≥99.9%

Synonym: ACN; Cyanomethane; Ethyl nitrile; Methyl cyanide

CAS Number: 75-05-8
Empirical Formula (Hill Notation): C₂H₃N
Molecular Weight: 41.05
EC Number: 200-835-2
MDL Number: MFCD00001878
Linear Formula: CH₃CN
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-439134-1L	1 L	$251.00 1/EA	Add To Favorites
45-439134-4L	4 L	$586.00 1/EA	Add To Favorites
45-439134-4X4L	4 L	$1950.00 4/EA	Add To Favorites
45-439134-18L	18 L	$2030.00 1/EA	Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

λ	H₂O reference
application(s)	food and beverages
assay	≥99.9%
autoignition temp.	973 °F
bp	81-82 °C (lit.)
density	0.786 g/mL at 25 °C (lit.)
description	baseline drift at 210 nm <= 15 mAU
	HPLC gradient analysis <= 0.5 mAU @254 nm
	HPLC gradient analysis <= 3 mAU @ 210 nm
evapn. residue	<0.0002%
expl. lim.	16 %
form	liquid
format	neat
grade	gradient grade
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
InChI	1S/C2H3N/c1-2-3/h1H3
InChI key	WEVYAHXRMPXWCK-UHFFFAOYSA-N
mp	−45 °C (lit.)
purified by	sub-micron filtration
Quality Level	100
refractive index	n20/D 1.344 (lit.)
SMILES string	CC#N
solubility	water: soluble
technique(s)	HPLC: suitable
	UV/Vis spectroscopy: suitable
UV absorption	λ: 195 nm A_max: ≤0.12
	λ: 200 nm A_max: ≤0.032
	λ: 230 nm A_max: ≤0.0044
vapor density	1.41 (vs air)
vapor pressure	72.8 mmHg ( 20 °C)

Application:	Chromatographic Separation of Anthocyanins: Acetonitrile is a preferred solvent in high-performance liquid chromatography (HPLC) for the separation of anthocyanins and other phenolic compounds. Studies have explored the selectivity control of anthocyanin separation by replacing acetonitrile with methanol in the mobile phase, highlighting the solvent′s role in optimizing chromatographic conditions for improved resolution and detection sensitivity (Deineka et al., Journal of Analytical Chemistry, 2021 ). Peroxyoxalate Chemiluminescence Detection: Acetonitrile is used in peroxyoxalate chemiluminescence for the detection of α-amino acids. The solvent′s ability to form stable mixed solutions with water and ethyl acetate enhances the chemiluminescence reaction, allowing for sensitive and selective detection of amino acids in various samples. This application is essential for biochemical and clinical analyses (Kan et al., American Journal of Analytical Chemistry, 2020 ). Electrochemical Detection of DNA Modifications: Acetonitrile is utilized in electrochemical methods for detecting DNA modifications, such as 5-formyluracil. The solvent′s role in stabilizing the (2-benzimidazolyl) acetonitrile labeling reaction enhances the selectivity and sensitivity of detecting DNA modifications, which is crucial for genomic and biomedical research (Tang et al., Analytical Chemistry, 2021 ). Alternative Solvent in Chromatography: Research has investigated replacing acetonitrile with ethanol in reversed-phase HPLC for determining anthocyanins. This substitution aims to maintain chromatographic performance while reducing the environmental impact and costs associated with acetonitrile use. The findings demonstrate the feasibility of using ethanol as a greener alternative without compromising analytical quality (Deineka et al., Journal of Analytical Chemistry, 2023 ).
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
Packaging:	18 L in VerSA-Flow™
Packaging:	2×10 L in Nowpak™
Packaging:	20 L in Nowpak™
Packaging:	20 L in Nowpak™ II
Packaging:	50 L in composite drum
Preparation Note:	Product filtered through a 0.2 μm filter
Recommended products:	Discover LiChropur reagents ideal for HPLC or LC-MS analysis

Symbol	GHS02,GHS07
Signal word	Danger
Hazard statements	H225 - H302 + H312 + H332 - H319
Precautionary statements	P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338
Hazard Codes	F,Xn
Risk Statements	11-20/21/22-36
Safety Statements	16-36/37
RIDADR	UN 1648 3 / PGII
WGK Germany	WGK 2
Flash Point(F)	35.6 °F - closed cup
Flash Point(C)	2.0 °C - closed cup

Purity	≥99.9%
bp	81-82 °C (lit.)
mp	−45 °C (lit.)
Density	0.786 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.344 (lit.)
UNSPSC	12190000

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