366544

Acetonitrile-d₃

99.8 atom % D, contains 0.03 % (v/v) TMS

• Synonym(s): Methyl-d₃ cyanide, Trideuteroacetonitrile
• Linear Formula: CD₃CN
• CAS Number: 2206-26-0
• Molecular Weight: 44.07
• Beilstein/REAXYS Number: 1740230
• EC Number: 218-616-5
• MDL number: MFCD00001881
• UNSPSC Code: 12142201
• PubChem Substance ID: 24862666
• NACRES: NA.21

Properties

• isotopic purity: 99.8 atom % D
• Quality Level: 200
• assay: 99% (CP)
• form: liquid
• contains: 0.03 % (v/v) TMS
• expl. lim.: 3.0-16 % (lit.)
• technique(s): NMR: suitable
• impurities: ≤0.02% water; water
• refractive index: n20/D 1.341 (lit.)
• bp: 80.7 °C (lit.)
• mp: -46 °C (lit.)
• density: 0.844 g/mL at 25 °C (lit.)
• mass shift: M+3
• SMILES string: [2H]C([2H])([2H])C#N
• InChI: 1S/C2H3N/c1-2-3/h1H3/i1D3
• InChI key: WEVYAHXRMPXWCK-FIBGUPNXSA-N

Description

General description

Acetonitrile-d₃ (CD₃CN), an organo deutero compound, is an α-deuterated alkyl nitrile. Its synthesis from acetonitrile by base-catalyzed exchange with deuterium oxide has been reported. Its molecular rotational friction coefficient has been determined by measuring ²H and ¹⁴N nuclear magnetic resonance spin–lattice relaxation times. Its orientational dynamics in nanoporous glasses has been studied using optical Kerr effect spectroscopy.

Application

Acetonitrile-d₃ was used as a solvent to record Raman spectrum.
It may be used as:

• IR and NMR solvent.
• Probe for zeolite acidity.
• Cartridge eluent in HPLC- SPE (solid-phase extraction)-NMR technique.

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Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H302 + H312 + H332,H319
• pcodes: P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 35.6 °F - closed cup
• flash_point_c: 2.00 °C - closed cup