175862

丙酮-D₆

"100%", 99.95 atom % D

• 别名: 氘代丙酮
• 线性分子式: CD₃COCD₃
• CAS号: 666-52-4
• 分子量: 64.12
• Beilstein: 1702935
• EC號碼: 211-563-9
• MDL號碼: MFCD00044635
• 分類程式碼代碼: 12142201
• PubChem物質ID: 24850533
• NACRES: NA.21

属性

• 蒸汽密度: 2 (vs air)
• 品質等級: 100
• 蒸汽壓力: 14.39 psi ( 55 °C); 184 mmHg ( 20 °C); 3.67 psi ( 20 °C)
• 同位素純度: 99.95 atom % D
• 化驗: ≥99% (CP)
• 形狀: liquid
• expl. lim.: 13.2 %
• 包裝: ampule of 0.5, 0.75 mL, 5 g; glass bottle of 25 g
• 技術: NMR: suitable
• 雜質: ≤0.0500% water; water
• 折射率: n20/D 1.355 (lit.)
• bp: 55.5 °C (lit.)
• mp: −93.8 °C (lit.)
• 密度: 0.872 g/mL at 25 °C (lit.)
• 質量偏移: M+6
• SMILES 字串: [2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]
• InChI: 1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3
• InChI 密鑰: CSCPPACGZOOCGX-WFGJKAKNSA-N

说明

一般說明

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.

應用

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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安全信息

• 象形圖: GHS02,GHS07
• 訊號詞: Danger
• 危險聲明: H225,H319,H336
• 防範說明: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
• 危險分類: Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
• 標靶器官: Central nervous system
• 安全危害: EUH066
• 儲存類別代碼: 3 - Flammable liquids
• 水污染物質分類（WGK）: WGK 1
• 閃點（°F）: -2.2 °F - closed cup
• 閃點（°C）: -19 °C - closed cup
• 個人防護裝備: Eyeshields, Faceshields, Gloves