1.02904

Acétonitrile-d₃

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

• Synonyme(s) : Cyanure de méthyle d₃, Trideutéroacétonitrile
• Formule linéaire : CD₃CN
• Numéro CAS: 2206-26-0
• Poids moléculaire : 44.07
• Numéro Beilstein : 1740230
• Numéro MDL: MFCD00001881
• Code UNSPSC : 12142201
• Numéro de classement CE : 218-616-5
• Nomenclature NACRES : NA.22

Propriétés

• Pression de vapeur: 97 hPa ( 20 °C)
• Niveau de qualité: 200
• Forme: liquid
• Température d'inflammation spontanée: 525 °C
• Puissance: 2730-3800 mg/kg LD₅₀, oral (Rat); 988 mg/kg LD₅₀, skin (Rabbit)
• Limite d'explosivité: 3.0-16 % (v/v)
• Technique(s): NMR: suitable
• Impuretés: ≤0.050% Water (H<SUB>2</SUB>O) (NMR); ≤0.100% Water (H<SUB>2</SUB>O + D<SUB>2</SUB>O) (Karl Fischer)
• Indice de réfraction: n20/D 1.341 (lit.)
• Point d'ébullition: 80.7 °C (lit.)
• Pf: -42 °C
• Température de transition: flash point 2 °C
• Densité: 0.844 g/mL at 25 °C (lit.)
• Changement de masse: M+3
• Température de stockage: 2-30°C
• Chaîne SMILES: [2H]C([2H])([2H])C#N
• InChI: 1S/C2H3N/c1-2-3/h1H3/i1D3
• Clé InChI: WEVYAHXRMPXWCK-FIBGUPNXSA-N

Description

Description générale

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).

Remarque sur l'analyse

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

Produits recommandés

Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial.

Informations légales

MAGNISOLV is a trademark of Merck KGaA, Darmstadt, Germany

Informations sur la sécurité

• Pictogrammes: GHS02,GHS07
• Mention d'avertissement: Danger
• Mentions de danger: H225 - H302 + H312 + H332 - H319
• Conseils de prudence: P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338
• Classification des risques: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2
• Code de la classe de stockage: 3 - Flammable liquids
• Classe de danger pour l'eau (WGK): WGK 2
• Point d'éclair (°F): 35.6 °F - closed cup
• Point d'éclair (°C): 2.00 °C - closed cup