1.02904

Acetonitrile-d₃

deuteration degree min. 99% for NMR spectroscopy MagniSolv^™

• Synonym(s): Methyl-d₃ cyanide, Trideuteroacetonitrile
• Linear Formula: CD₃CN
• CAS Number: 2206-26-0
• Molecular Weight: 44.07
• Beilstein/REAXYS Number: 1740230
• MDL number: MFCD00001881
• UNSPSC Code: 12142201
• EC Index Number: 218-616-5
• NACRES: NA.22

Properties

• vapor pressure: 97 hPa ( 20 °C)
• Quality Level: 200
• form: liquid
• autoignition temp.: 525 °C
• potency: 2730-3800 mg/kg LD₅₀, oral (Rat); 988 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 3.0-16 % (v/v)
• technique(s): NMR: suitable
• impurities: ≤0.050% Water (H<SUB>2</SUB>O) (NMR); ≤0.100% Water (H<SUB>2</SUB>O + D<SUB>2</SUB>O) (Karl Fischer)
• refractive index: n20/D 1.341 (lit.)
• bp: 80.7 °C (lit.)
• mp: -42 °C
• transition temp: flash point 2 °C
• density: 0.844 g/mL at 25 °C (lit.)
• mass shift: M+3
• storage temp.: 2-30°C
• SMILES string: [2H]C([2H])([2H])C#N
• InChI: 1S/C2H3N/c1-2-3/h1H3/i1D3
• InChI key: WEVYAHXRMPXWCK-FIBGUPNXSA-N

Description

General description

A wide range of MagniSolv deuterated solvents with extremely low residual water, excellent chemical purity, and the highest isotopic enrichment available can satisfy the most demanding requirements of researchers. Depending on application and sensitivity of the NMR spectrometer our offer solvents with deuteration degrees between 98% and 99.96%. In case of all the water soluble deuterated standard products, water content is specified according to both Karl Fischer and NMR.

Application

• Multicomponent Self-Assembled Metal-Organic [3]Rotaxanes: This research highlights the use of Acetonitrile-d₃ in the synthesis of complex metal-organic frameworks, which are crucial for the development of new materials with potential applications in catalysis and molecular electronics (Yang et al., 2015).


• 13C NMR quantification of mono and diacylglycerols: Utilizing Acetonitrile-d₃ as a solvent, this study enhances the accuracy of quantifying lipid structures in food science and biochemistry, making significant contributions to the understanding of lipid metabolism and its implications for health and disease (Fernandes et al., 2012).


• Structure-function relationships in high-density docosylsilane bonded stationary phases: Acetonitrile-d₃ is employed to study the interaction of solvents with stationary phases in chromatography, providing insights into solvent effects on the stability and efficiency of chromatographic separations, pivotal for analytical chemistry (Liao and Pemberton, 2008).

Analysis Note

Deuteration degree: ≥ 99.0 %
Water (NMR, H₂O): ≤ 0.050 %
Performance test (NMR-spectrum): passes test
Water (K. Fischer, H₂O + D₂O): ≤ 0.100 %

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Legal Information

MAGNISOLV is a trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225 - H302 + H312 + H332 - H319
• pcodes: P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338
• 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
• wgk_germany: WGK 2
• flash_point_f: 35.6 °F - closed cup
• flash_point_c: 2.00 °C - closed cup