1.02904

乙腈-D₃

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

• 别名: 氘代乙腈, 氘代乙腈-D₃
• 线性分子式: CD₃CN
• CAS号: 2206-26-0
• 分子量: 44.07
• Beilstein: 1740230
• MDL號碼: MFCD00001881
• 分類程式碼代碼: 12142201
• 酶委員會索引編號: 218-616-5
• NACRES: NA.22

属性

• 蒸汽壓力: 97 hPa ( 20 °C)
• 品質等級: 200
• 形狀: liquid
• 自燃溫度: 525 °C
• 效力: 2730-3800 mg/kg LD₅₀, oral (Rat); 988 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 3.0-16 % (v/v)
• 技術: NMR: suitable
• 雜質: ≤0.050% Water (H<SUB>2</SUB>O) (NMR); ≤0.100% Water (H<SUB>2</SUB>O + D<SUB>2</SUB>O) (Karl Fischer)
• 折射率: n20/D 1.341 (lit.)
• bp: 80.7 °C (lit.)
• mp: -42 °C
• 轉變溫度: flash point 2 °C
• 密度: 0.844 g/mL at 25 °C (lit.)
• 質量偏移: M+3
• 儲存溫度: 2-30°C
• SMILES 字串: [2H]C([2H])([2H])C#N
• InChI: 1S/C2H3N/c1-2-3/h1H3/i1D3
• InChI 密鑰: WEVYAHXRMPXWCK-FIBGUPNXSA-N

说明

一般說明

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.

應用

• 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).

分析報告

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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法律資訊

MAGNISOLV is a trademark of Merck KGaA, Darmstadt, Germany

安全信息

• 象形圖: GHS02,GHS07
• 訊號詞: Danger
• 危險聲明: H225 - H302 + H312 + H332 - H319
• 防範說明: P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338
• 危險分類: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2
• 儲存類別代碼: 3 - Flammable liquids
• 水污染物質分類（WGK）: WGK 2
• 閃點（°F）: 35.6 °F - closed cup
• 閃點（°C）: 2.00 °C - closed cup