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Merck
CN

1.15500

Acetonitrile

≥ 99,0 % (HPLC), for preparative purposes, synthesis, cleaning, extraction and analytical purposes, EMPLURA®

Synonym(s):

Methyl cyanide, Anhydrous ACN, Dry MeCN

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About This Item

Linear Formula:
CH3CN
CAS Number:
Molecular Weight:
41.05
NACRES:
NA.21
EC Index Number:
200-835-2
UNSPSC Code:
12191502
MDL number:
Beilstein/REAXYS Number:
741857
Assay:
≥90% (HPLC)
Grade:
synthesis grade
Bp:
81-82 °C (lit.)
Vapor pressure:
72.8 mmHg ( 20 °C), 97 hPa ( 20 °C)
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Product Name

Acetonitrile, EMPLURA®, for preparative purposes

grade

synthesis grade

Quality Level

vapor density

1.41 (vs air)

vapor pressure

72.8 mmHg ( 20 °C), 97 hPa ( 20 °C)

description

for analytical purposes, for extraction

product line

EMPLURA®

assay

≥90% (HPLC)

form

liquid

autoignition temp.

524 °C, 973 °F

expl. lim.

16 %

manufacturer/tradename

Calbiochem®

dilution

(low-cost alternative, for basic applications)

impurities

≤0.00016 meq/g Acidity, ≤0.5% Water

evapn. residue

≤0.005%

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.)

application(s)

environmental
food and beverages
industrial qc
pharmaceutical

format

neat

shipped in

ambient

storage temp.

−20°C

SMILES string

CC#N

InChI

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

InChI key

WEVYAHXRMPXWCK-UHFFFAOYSA-N

General description

EMPLURA® is our low-cost alternative to high-purity qualities. With EMPLURA we offer a range of solvents for a plurality of basic applications in non-regulated industries and for less demanding applications, preparative laboratory work and cleaning purposes. EMPLURA solvents provide adequate specifications with the most important parameters.

Application


  • Electroanalysis and Spectroelectrochemistry: Acetonitrile is widely used in electroanalysis and spectroelectrochemistry due to its excellent solvent properties and compatibility with a variety of electrodes. Recent research has demonstrated its use in the electroanalysis of nonaromatic explosives in the presence of dissolved oxygen. This application enhances the sensitivity and accuracy of detecting explosive compounds, which is critical for environmental monitoring and safety assessments (Holubowitch et al., Analytical Chemistry, 2020).

  • 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).

Analysis Note

Purity (GC): ≥ 99.0 %
Identity (IR): conforms
Acidity: ≤ 0.00016 meq/g
Density (d 20 °C/ 4 °C): 0.782 - 0.783
Evaporation residue: ≤ 0.005 %
Water: ≤ 0.5 %

Legal Information

CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany
EMPLURA is a registered trademark of Merck KGaA, Darmstadt, Germany

Disclaimer

Toxicity: Standard Handling (A)


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Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2

Storage Class

3 - Flammable liquids

flash_point_c

2.0 °C - closed cup

flash_point_f

35.6 °F - closed cup

Regulatory Information

危险化学品

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Global Trade Item Number

SKUGTIN
115500919004022536160740
115500250004022536160719
115500400004054839189647
115500100004022536160702
115500602504022536160726