151807

Acetonitrile-d₃

≥99.8 atom % D

• 동의어(들): Methyl-d₃ cyanide, Trideuteroacetonitrile
• Linear Formula: CD₃CN
• CAS Number: 2206-26-0
• Molecular Weight: 44.07
• Beilstein: 1740230
• EC Number: 218-616-5
• MDL number: MFCD00001881
• UNSPSC 코드: 12142201
• PubChem Substance ID: 24848856
• NACRES: NA.21

속성

• 동위원소 순도: ≥99.8 atom % D
• 분석: ≥99% (CP)
• 형태: liquid
• expl. lim.: 3.0-16 % (lit.)
• 기술: NMR: suitable
• 불순물: ≤0.0200% 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.)
• 질량 이동: M+3
• SMILES string: [2H]C([2H])([2H])C#N
• InChI: 1S/C2H3N/c1-2-3/h1H3/i1D3
• InChI key: WEVYAHXRMPXWCK-FIBGUPNXSA-N

설명

일반 설명

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.

애플리케이션

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.

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안전성 정보

• 픽토그램: GHS02,GHS07
• 신호어: Danger
• 유해 및 위험 성명서: H225,H302 + H312 + H332,H319
• 예방조치 성명서: 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 Code: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point (°F): 35.6 °F - closed cup
• Flash Point (°C): 2.00 °C - closed cup