175862

Acetone-d₆

"100%", 99.95 atom % D

• Sinônimo(s): Hexadeuteroacetone
• Fórmula linear: CD₃COCD₃
• Número CAS: 666-52-4
• Peso molecular: 64.12
• Beilstein: 1702935
• Número CE: 211-563-9
• Número MDL: MFCD00044635
• Código UNSPSC: 12142201
• ID de substância PubChem: 24850533
• NACRES: NA.21

Propriedades

• densidade de vapor: 2 (vs air)
• Nível de qualidade: 100
• pressão de vapor: 14.39 psi ( 55 °C); 184 mmHg ( 20 °C); 3.67 psi ( 20 °C)
• pureza isotópica: 99.95 atom % D
• Ensaio: ≥99% (CP)
• forma: liquid
• Lim. expl.: 13.2 %
• embalagem: ampule of 0.5, 0.75 mL, 5 g; glass bottle of 25 g
• técnica(s): NMR: suitable
• Impurezas: ≤0.0500% water; water
• índice de refração: n20/D 1.355 (lit.)
• pb: 55.5 °C (lit.)
• pf: −93.8 °C (lit.)
• densidade: 0.872 g/mL at 25 °C (lit.)
• alteração de massa: M+6
• cadeia de caracteres SMILES: [2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]
• InChI: 1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3
• chave InChI: CSCPPACGZOOCGX-WFGJKAKNSA-N

Descrição

Descrição geral

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.

Aplicação

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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Informações de segurança

• Pictogramas: GHS02,GHS07
• Palavra indicadora: Danger
• Frases de perigo: H225,H319,H336
• Declarações de precaução: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
• Classificações de perigo: Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
• Órgãos-alvo: Central nervous system
• Perigos de suplementos: EUH066
• Código de classe de armazenamento: 3 - Flammable liquids
• Classe de risco de água (WGK): WGK 1
• Ponto de fulgor (°F): -2.2 °F - closed cup
• Ponto de fulgor (°C): -19 °C - closed cup
• Equipamento de proteção individual: Eyeshields, Faceshields, Gloves