1186-52-3
Acetic-d3 acid-d
CAS: 1186-52-3
Molecular Formula: C2D4O2
1186-52-3 - Names and Identifiers
| Name | Acetic-d3 acid-d |
| Synonyms | D4) ACETIC ACID-D Acetic acid-d4 ACETIC ACID-D4 ACETIC-D3 ACID-D Acetic-d3 acid-d [2H3]acetic [2H]acid ACETIC ACID (1,2-12C2 TETRADEUTEROACETIC ACID |
| CAS | 1186-52-3 |
| EINECS | 214-693-4 |
| InChI | InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD |
1186-52-3 - Physico-chemical Properties
| Molecular Formula | C2D4O2 |
| Molar Mass | 64.08 |
| Density | 1.119g/mLat 25°C(lit.) |
| Melting Point | 15-16°C(lit.) |
| Boling Point | 115.5°C(lit.) |
| Flash Point | 104°F |
| Water Solubility | Soluble in water, ethanol and ether. |
| Solubility | Benzene |
| Vapor Presure | 11.4 mm Hg ( 20 °C) |
| Vapor Density | 2.07 (vs air) |
| Appearance | Liquid |
| Specific Gravity | 1.12 |
| Color | Colorless |
| BRN | 1748971 |
| pKa | pK1: 5.32(Sol. D2O) |
| PH | 2.5 (50g/l, H2O, 25℃) |
| Storage Condition | Flammables area |
| Stability | Stable. Incompatible with acids, bases, oxidizing agents, carbonates and phosphates, hydroxides, metals, oxides, acid anhydrides, peroxides, permanganates, amines, alcohols. Protect from moisture. |
| Sensitive | Moisture Sensitive |
| Explosive Limit | 4-19.9%(V) |
| Refractive Index | n20/D 1.368(lit.) |
1186-52-3 - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | R10 - Flammable R35 - Causes severe burns |
| Safety Description | S23 - Do not breathe vapour. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 2789 8/PG 2 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 10 |
| HS Code | 28459000 |
| Hazard Class | 8 |
| Packing Group | II |
1186-52-3 - Reference Information
| Using | Irfana Jesin et al, sulfonimide amides have been studied as directing agents for the regioselective oxidation of C- H acyloxylation of aromatic hydrocarbons catalyzed by Pd. CN201811344212.6 reported the use of acetic acid-D3 for the preparation of the above compounds, useful as MEK inhibitors. |
| Overview | acetic acid-D3 is also called acetic acid -2,2,2-d3. Perrin et al. reported that acetic acid-D3 can be prepared in one step from Malonic-d2 acid-d2. |
| preparation method | malonic acid-d2 acid-d2(2.7g,25mmol) in 140.MAL E.C was thawed at temperature and then water was added (112.5 μL,6.25mmol with stirring). The mixture was heated to 150.MAL E.C. After 15 min, the colorless liquid (1.32g,85%) was collected by distillation at atmospheric pressure. The product was stirred with 0.2mL D2O, the water was pumped out, and the sample was dried under vacuum with a cold trap. The product was further purified by fractional distillation under atmospheric pressure in a closed drying system to give 0.61G of product. 1H NMR of the product revealed three sets of signals with an integration ratio of 3.6%:31.2%:65.2%, corresponding to acetic acid: acetic acid-acetic acid: acetic acid -2 acid. 1 H NMR(500 MHz,D2O) Δ1.95 (s,CH3),1.93(t,J = 2.5Hz,CDH2),1.92(q,J = 2.0Hz,CD2H). Since the ratio of D:H in the reaction mixture was 8:1, the product also contained> 50% of acetic acid-d3, which was not visible in 1H NMR. 13 C NMR(D2O) Δ176.5, 20.2 (five by weight). |
| preparation method 2 | Arrowsmith et al. reported that acetic acid-D3 can be prepared from acetic acid-D4 by removing one deuterium under the action of methanol. |
| autoignition temperature | 800 ° F. |
Last Update：2024-04-10 22:41:03
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