1.02904
乙腈-D3
deuteration degree min. 99% for NMR spectroscopy MagniSolv™
别名:
氘代乙腈, 氘代乙腈-D3
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线性分子式:
CD3CN
化学文摘社编号:
分子量:
44.07
UNSPSC Code:
12142201
NACRES:
NA.22
EC Index Number:
218-616-5
MDL number:
Beilstein/REAXYS Number:
1740230
产品名称
乙腈-D3, deuteration degree min. 99% for NMR spectroscopy MagniSolv™
InChI
1S/C2H3N/c1-2-3/h1H3/i1D3
SMILES string
[2H]C([2H])([2H])C#N
InChI key
WEVYAHXRMPXWCK-FIBGUPNXSA-N
vapor pressure
97 hPa ( 20 °C)
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
Quality Level
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Analysis Note
Deuteration degree: ≥ 99.0 %
Water (NMR, H₂O): ≤ 0.050 %
Performance test (NMR-spectrum): passes test
Water (K. Fischer, H₂O + D₂O): ≤ 0.100 %
Water (NMR, H₂O): ≤ 0.050 %
Performance test (NMR-spectrum): passes test
Water (K. Fischer, H₂O + D₂O): ≤ 0.100 %
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).
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.
Other Notes
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.
Legal Information
MAGNISOLV is a trademark of Merck KGaA, Darmstadt, Germany
signalword
Danger
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2
存储类别
3 - Flammable liquids
wgk
WGK 2
flash_point_f
35.6 °F - closed cup
flash_point_c
2.00 °C - closed cup
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