产品说明
一般描述
Acetone-d6 can be prepared by reacting heavy water with propyne-d4 in the presence of mercury catalyst.
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.
应用
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.
包装
5 g in ampule
25 g in glass bottle
10×0.5, 10×0.75 mL in ampule
基本信息
| 线性分子式 | CD3COCD3 |
| 分子量 | 64.12 |
| Beilstein | 1702935 |
| EC 号 | 211-563-9 |
| MDL编号 | MFCD00044635 |
| PubChem化学物质编号 | 24850533 |
| NACRES | NA.21 |
产品性质
| 质量水平 | 100 |
| 蒸汽密度 | 2 (vs air) |
| 蒸汽压 | 14.39 psi ( 55 ℃) 184 mmHg ( 20 ℃) 3.67 psi ( 20 ℃) |
| 同位素纯度 | 99.96 atom % D |
| 测定 | ≥99% (CP) |
| 形式 | liquid |
| expl. lim. | 13.2 % |
| 包装 | ampule of 0.5, 0.75 mL, 5 g glass bottle of 25 g |
| technique(s) | NMR: suitable |
| 杂质 | ≤0.0500% water water |
| 折射率 | n |
| bp | 55.5 ℃ (lit.) |
| mp | −93.8 ℃ (lit.) |
| 密度 | 0.872 g/mL at 25 ℃ (lit.) |
| 质量偏移 | 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 |
| InChI key | CSCPPACGZOOCGX-WFGJKAKNSA-N |
安全信息
| 象形图 |   |
| 警示用语： | Danger |
| 危险声明 | H225 - H319 - H336 |
| 预防措施声明 | P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338 |
| 危险分类 | Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3 |
| 靶器官 | Central nervous system |
| 补充剂危害 | EUH066 |
| 储存分类代码 | 3 - Flammable liquids |
| WGK | WGK 1 |
| 闪点(F) | -2.2 °F - closed cup |
| 闪点(C) | -19 ℃ - closed cup |
| 个人防护装备 | Eyeshields, Faceshields, Gloves |
Sigma-Aldrich
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