366544

Acetonitril-d₃

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

• Synonym(e): Deuteriertes Acetonitril, Methyl-d₃-cyanid, Trideuteroacetonitril
• Lineare Formel: CD₃CN
• CAS-Nummer: 2206-26-0
• Molekulargewicht: 44.07
• Beilstein: 1740230
• EG-Nummer: 218-616-5
• MDL-Nummer: MFCD00001881
• UNSPSC-Code: 12142201
• PubChem Substanz-ID: 24862666
• NACRES: NA.21

Eigenschaften

• Isotopenreinheit: 99.8 atom % D
• Qualitätsniveau: 200
• Assay: 99% (CP)
• Form: liquid
• Enthält: 0.03 % (v/v) TMS
• Expl.-Gr.: 3.0-16 % (lit.)
• Methode(n): NMR: suitable
• Verunreinigungen: ≤0.02% water; water
• Brechungsindex: n20/D 1.341 (lit.)
• bp: 80.7 °C (lit.)
• mp (Schmelzpunkt): -46 °C (lit.)
• Dichte: 0.844 g/mL at 25 °C (lit.)
• Massenverschiebung: M+3
• SMILES String: [2H]C([2H])([2H])C#N
• InChI: 1S/C2H3N/c1-2-3/h1H3/i1D3
• InChIKey: WEVYAHXRMPXWCK-FIBGUPNXSA-N

Beschreibung

Allgemeine Beschreibung

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.

Anwendung

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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Sicherheitshinweise

• Piktogramme: GHS02,GHS07
• Signalwort: Danger
• H-Sätze: H225,H302 + H312 + H332,H319
• P-Sätze: P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338
• Gefahreneinstufungen: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2
• Lagerklassenschlüssel: 3 - Flammable liquids
• WGK: WGK 2
• Flammpunkt (°F): 35.6 °F - closed cup
• Flammpunkt (°C): 2.00 °C - closed cup