452556

Ethanol-d₁

99 atom % D

• Synonym(e): Ethanol-OD, Ethylalkohol-OD
• Lineare Formel: C₂H₅OD
• CAS-Nummer: 925-93-9
• Molekulargewicht: 47.07
• Beilstein: 1731246
• EG-Nummer: 213-128-9
• MDL-Nummer: MFCD00044669
• UNSPSC-Code: 12142201
• PubChem Substanz-ID: 24868710
• NACRES: NA.21

Eigenschaften

• Isotopenreinheit: 99 atom % D
• Assay: 99% (CP)
• Form: liquid
• Expl.-Gr.: 3.5-15 % (lit.)
• Methode(n): NMR: suitable
• Verunreinigungen: ≤0.5000% water; water
• Brechungsindex: n20/D 1.359 (lit.)
• bp: 78 °C (lit.)
• mp (Schmelzpunkt): -114 °C (lit.)
• Dichte: 0.806 g/mL at 25 °C
• Massenverschiebung: M+1
• SMILES String: [2H]OCC
• InChI: 1S/C2H6O/c1-2-3/h3H,2H2,1H3/i3D
• InChIKey: LFQSCWFLJHTTHZ-WFVSFCRTSA-N

Beschreibung

Allgemeine Beschreibung

Ethan(ol-d) (ethanol-d, ethanol-d₁) is a deuterated NMR solvent useful in NMR-based research and analyses. It can be prepared by reacting tetraethylorthosilicate with deuterium oxide. The hydrogen bonding in ethanol-d₁ has been investigated based on Raman spectral data. The far infrared (FIR) spectrum of ethanol-d₁ has been studied using ab initio calculations.

Anwendung

Ethan(ol-d) may be used as a source of deuterium for the deuterium exchange reaction of ethyl acetoacetate.

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Sicherheitshinweise

• Piktogramme: GHS02,GHS07
• Signalwort: Danger
• H-Sätze: H225,H319
• P-Sätze: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
• Gefahreneinstufungen: Eye Irrit. 2 - Flam. Liq. 2
• Lagerklassenschlüssel: 3 - Flammable liquids
• WGK: WGK 1
• Flammpunkt (°F): 55.4 °F - closed cup
• Flammpunkt (°C): 13 °C - closed cup