175862

Aceton-d₆

"100%", 99.95 atom % D

• Synonym(e): Hexadeuteroaceton
• Lineare Formel: CD₃COCD₃
• CAS-Nummer: 666-52-4
• Molekulargewicht: 64.12
• Beilstein: 1702935
• EG-Nummer: 211-563-9
• MDL-Nummer: MFCD00044635
• UNSPSC-Code: 12142201
• PubChem Substanz-ID: 24850533
• NACRES: NA.21

Eigenschaften

• Dampfdichte: 2 (vs air)
• Qualitätsniveau: 100
• Dampfdruck: 14.39 psi ( 55 °C); 184 mmHg ( 20 °C); 3.67 psi ( 20 °C)
• Isotopenreinheit: 99.95 atom % D
• Assay: ≥99% (CP)
• Form: liquid
• Expl.-Gr.: 13.2 %
• Verpackung: ampule of 0.5, 0.75 mL, 5 g; glass bottle of 25 g
• Methode(n): NMR: suitable
• Verunreinigungen: ≤0.0500% water; water
• Brechungsindex: n20/D 1.355 (lit.)
• bp: 55.5 °C (lit.)
• mp (Schmelzpunkt): −93.8 °C (lit.)
• Dichte: 0.872 g/mL at 25 °C (lit.)
• Massenverschiebung: M+6
• SMILES String: [2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]
• InChI: 1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3
• InChIKey: CSCPPACGZOOCGX-WFGJKAKNSA-N

Beschreibung

Allgemeine Beschreibung

Acetone-d₆ (CD₃COCD₃, Hexadeuteroacetone) is the hexadeuterated form of acetone. It is 100% NMR (Nuclear Magnetic Resonance) solvent. It is widely employed in high resolution NMR studies due to its high chemical and isotopic purity. Absorption spectra of CD₃COCD₃ samples cooled in molecular jet (jet-cooled) have been evaluated in the range of 51000-54000cm^-1. Collision of its molecular ions with a perdeuterated surface (C₂₀D₄₁ SAu) was investigated by ion-surface collision spectroscopy. The Infrared and Raman spectra of acetone-d₆ have been analyzed.4 It undergoes H-²H exchange reaction with acetone d₀ to afford acetone d₁ and d₅.

Acetone-d₆ can be prepared by reacting heavy water with propyne-d₄ in the presence of mercury catalyst.

Anwendung

Acetone-d₆ has been used as a solvent for the NMR (Nuclear Magnetic Resonance) spectral investigation of (S)-2-(6-((3-((15-carboxypentadecyl)disulfanyl)propoxy)carbonyloxy)benzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid.

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Sicherheitshinweise

• Piktogramme: GHS02,GHS07
• Signalwort: Danger
• H-Sätze: H225,H319,H336
• P-Sätze: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
• Gefahreneinstufungen: Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
• Zielorgane: Central nervous system
• Zusätzliche Gefahrenhinweise: EUH066
• Lagerklassenschlüssel: 3 - Flammable liquids
• WGK: WGK 1
• Flammpunkt (°F): -2.2 °F - closed cup
• Flammpunkt (°C): -19 °C - closed cup
• Persönliche Schutzausrüstung: Eyeshields, Faceshields, Gloves