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1.02904

Sigma-Aldrich

Acetonitrile-d3

deuteration degree min. 99% for NMR spectroscopy MagniSolv™

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

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

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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 %

Recommended products

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

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

35.6 °F - closed cup

Flash Point(C)

2.00 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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