366544

Acetonitrilo-d₃

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

• Sinônimo(s): Acetonitrilo trideuterado, Cianeto de metila-d₃
• Fórmula linear: CD₃CN
• Número CAS: 2206-26-0
• Peso molecular: 44.07
• Beilstein: 1740230
• Número CE: 218-616-5
• Número MDL: MFCD00001881
• Código UNSPSC: 12142201
• ID de substância PubChem: 24862666
• NACRES: NA.21

Propriedades

• pureza isotópica: 99.8 atom % D
• Nível de qualidade: 200
• Ensaio: 99% (CP)
• Formulário: liquid
• contém: 0.03 % (v/v) TMS
• Lim. expl.: 3.0-16 % (lit.)
• técnica(s): NMR: suitable
• Impurezas: ≤0.02% water; water
• índice de refração: n20/D 1.341 (lit.)
• p.e.: 80.7 °C (lit.)
• pf: -46 °C (lit.)
• densidade: 0.844 g/mL at 25 °C (lit.)
• alteração de massa: M+3
• cadeia de caracteres SMILES: [2H]C([2H])([2H])C#N
• InChI: 1S/C2H3N/c1-2-3/h1H3/i1D3
• chave InChI: WEVYAHXRMPXWCK-FIBGUPNXSA-N

Descrição

Descrição geral

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.

Aplicação

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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Informações de segurança

• Pictogramas: GHS02,GHS07
• Palavra indicadora: Danger
• Frases de perigo: H225,H302 + H312 + H332,H319
• Declarações de precaução: P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338
• Classificações de perigo: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2
• Código de classe de armazenamento: 3 - Flammable liquids
• Classe de risco de água (WGK): WGK 2
• Ponto de fulgor (°F): 35.6 °F - closed cup
• Ponto de fulgor (°C): 2.00 °C - closed cup