151807

Acetonitrile-d₃

≥99.8 atom % D

• Synonym(s): Methyl-d₃ cyanide, Trideuteroacetonitrile
• Linear Formula: CD₃CN
• CAS Number: 2206-26-0
• Molecular Weight: 44.07
• Beilstein: 1740230
• Número EC: 218-616-5
• Número MDL: MFCD00001881
• ID de substância PubChem: 24848856
• NACRES: NA.21

Properties

• pureza isotópica: ≥99.8 atom % D
• Nível de qualidade: 200
• teor: ≥99% (CP)
• forma: liquid
• Lim. expl.: 3.0-16 % (lit.)
• technique(s): NMR: suitable
• Impurezas: ≤0.0200% water; water
• índice de refração: n20/D 1.341 (lit.)
• pb: 80.7 °C (lit.)
• pf: -46 °C (lit.)
• densidade: 0.844 g/mL at 25 °C (lit.)
• alteração de massa: M+3
• SMILES string: [2H]C([2H])([2H])C#N
• InChI: 1S/C2H3N/c1-2-3/h1H3/i1D3
• InChI key: WEVYAHXRMPXWCK-FIBGUPNXSA-N

Description

Descrição geral

Acetonitrile-d₃ (Trideuteroacetonitrile, CD₃CN) is a deuterated NMR (Nuclear Magnetic Resonance) solvent. Molecular rotational friction coefficient and magnetic relaxation times (T₁) for ¹⁴N and ²D of CD₃CN have been determined. It participates as solvent during the synthesis of 2-phenylindole. It serves as solvent for ¹H NMR (Proton Nuclear Magnetic Resonance) and ¹³C NMR (Carbon-13 Nuclear Magnetic Resonance) spectral studies.

Aplicação

Acetonitrile-d₃ has been used as a deuterated solvent for the dissolution of internal standard and sample in qNMR (Quantitative Nuclear Magnetic Resonance) quantification experiments. It has also been used as the deuterated solvent in the synthesis of N-methyl indolylfulgimide, which is studied using UV-pump-IR-probe spectroscopy.

Safety Information

• 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
• WGK: WGK 2
• Ponto de fulgor (ºF): 35.6 °F - closed cup
• Ponto de fulgor (ºC): 2.00 °C - closed cup