175862

Acetone-d₆

"100%", 99.95 atom % D

• Sinónimos: Hexadeuteroacetone
• Fórmula lineal: CD₃COCD₃
• Número de CAS: 666-52-4
• Peso molecular: 64.12
• Beilstein: 1702935
• Número CE: 211-563-9
• Número MDL: MFCD00044635
• Código UNSPSC: 12142201
• ID de la sustancia en PubChem: 24850533
• NACRES: NA.21

Propiedades

• densidad de vapor: 2 (vs air)
• Nivel de calidad: 100
• presión de vapor: 14.39 psi ( 55 °C); 184 mmHg ( 20 °C); 3.67 psi ( 20 °C)
• pureza isotópica: 99.95 atom % D
• Análisis: ≥99% (CP)
• formulario: liquid
• lim. expl.: 13.2 %
• envase: ampule of 0.5, 0.75 mL, 5 g; glass bottle of 25 g
• técnicas: NMR: suitable
• impurezas: ≤0.0500% water; water
• índice de refracción: n20/D 1.355 (lit.)
• bp: 55.5 °C (lit.)
• mp: −93.8 °C (lit.)
• densidad: 0.872 g/mL at 25 °C (lit.)
• cambio de masa: M+6
• cadena SMILES: [2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]
• InChI: 1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3
• Clave InChI: CSCPPACGZOOCGX-WFGJKAKNSA-N

Descripción

Descripción general

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.

Aplicación

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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Información de seguridad

• Pictogramas: GHS02,GHS07
• Palabra de señalización: Danger
• Frases de peligro: H225,H319,H336
• Consejos de prudencia: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
• Clasificaciones de peligro: Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
• Órganos de actuación: Central nervous system
• Riesgos supl.: EUH066
• Código de clase de almacenamiento: 3 - Flammable liquids
• Clase de riesgo para el agua (WGK): WGK 1
• Punto de inflamabilidad (°F): -2.2 °F - closed cup
• Punto de inflamabilidad (°C): -19 °C - closed cup
• Equipo de protección personal: Eyeshields, Faceshields, Gloves