1.02904

Acetonitrilo-d₃

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

• Sinônimo(s): Acetonitrilo trideuterado, Cianeto de metila-d₃
• Fórmula linear: CD₃CN
• Número CAS: 2206-26-0
• Peso molecular: 44.07
• Beilstein: 1740230
• Número MDL: MFCD00001881
• Código UNSPSC: 12142201
• Número do índice EC: 218-616-5
• NACRES: NA.22

Propriedades

• pressão de vapor: 97 hPa ( 20 °C)
• Nível de qualidade: 200
• forma: liquid
• temperatura de autoignição: 525 °C
• potência: 2730-3800 mg/kg LD₅₀, oral (Rat); 988 mg/kg LD₅₀, skin (Rabbit)
• Lim. expl.: 3.0-16 % (v/v)
• técnica(s): NMR: suitable
• Impurezas: ≤0.050% Water (H<SUB>2</SUB>O) (NMR); ≤0.100% Water (H<SUB>2</SUB>O + D<SUB>2</SUB>O) (Karl Fischer)
• índice de refração: n20/D 1.341 (lit.)
• pb: 80.7 °C (lit.)
• pf: -42 °C
• temperatura de transição: flash point 2 °C
• densidade: 0.844 g/mL at 25 °C (lit.)
• alteração de massa: M+3
• temperatura de armazenamento: 2-30°C
• cadeia de caracteres SMILES: [2H]C([2H])([2H])C#N
• InChI: 1S/C2H3N/c1-2-3/h1H3/i1D3
• chave InChI: WEVYAHXRMPXWCK-FIBGUPNXSA-N

Descrição

Descrição geral

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.

Aplicação

• 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).

Nota de análise

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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Informações legais

MAGNISOLV is a trademark of Merck KGaA, Darmstadt, Germany

Informações de segurança

• Pictogramas: GHS02,GHS07
• Palavra indicadora: Danger
• Frases de perigo: H225 - H302 + H312 + H332 - H319
• Declarações de precaução: P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338
• Classificações de perigo: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2
• Código de classe de armazenamento: 3 - Flammable liquids
• Classe de risco de água (WGK): WGK 2
• Ponto de fulgor (°F): 35.6 °F - closed cup
• Ponto de fulgor (°C): 2.00 °C - closed cup