151793

Acetone-d₆

99.9 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: 24848854
• NACRES: NA.21

Propiedades

• densidad de vapor: 2 (vs air)
• Nivel de calidad: 200
• presión de vapor: 14.39 psi ( 55 °C); 184 mmHg ( 20 °C); 3.67 psi ( 20 °C)
• pureza isotópica: 99.9 atom % D
• Ensayo: ≥99% (CP)
• Formulario: liquid
• lim. expl.: 13.2 %
• envase: Sure/Seal^™ of 100 g; ampule of 0.75 mL, 1 mL, 10 g; glass bottle of 25 g, 50 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Hexadeuteroacetone) is the hexadeuterated form of acetone, in which all hydrogen atoms in acetone molecule have been replaced by deuterium (D) atoms. It is a standard purity solvent for NMR (Nuclear Magnetic Resonance) analyses. Absorption spectra of CD₃COCD₃ samples cooled in molecular jet (jet-cooled) have been evaluated in the range of 51000-54000cm^-1.[1] Collision of its molecular ions with a perdeuterated surface (C₂₀D₄₁ SAu) was investigated by ion-surface collision spectroscopy.[2] The Infrared and Raman spectra of acetone-d₆ have been analyzed.[3] It undergoes H-²H exchange reaction with acetone d₀ to afford acetone d₁ and d₅.[4]

Aplicación

Acetone-d₆ may be used as a deuterated solvent in the ¹H NMR spectral studies of iodine containing radiopaque poly(methacrylate)copolymers.[5] It may also be used as a source of deuterium atoms in the synthesis of labelled sterols.[6]

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Información legal

Sure/Seal is a trademark of Sigma-Aldrich Co. LLC

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