Introduction：Basic information about Potassium trifluoroacetate CAS 2923-16-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Potassium trifluoroacetate Basic information
| Product Name: | Potassium trifluoroacetate |
| Synonyms: | POTASSIUM TRIFLUOROACETATE;TRIFLUOROACETIC ACID POTASSIUM SALT;TRIFLUOROACETIC ACID POTASSIUM;Potassiumtrifluoroacetate98%;Trifluoroacetic acid, potassium salt,98%;Potassium trifluoroacetate 98%;potassiuM 2,2,2-trifluoroacetate;2018-A |
| CAS: | 2923-16-2 |
| MF: | C2F3KO2 |
| MW: | 152.11 |
| EINECS: | 220-877-5 |
| Product Categories: | top |
| Mol File: | 2923-16-2.mol |
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Potassium trifluoroacetate Chemical Properties
| Melting point | 140-142 °C (lit.) |
| density | 1.49 g/mL (lit.) |
| vapor pressure | 0Pa at 25℃ |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | H2O: 0.1 g/mL, clear, colorless |
| form | solid |
| Specific Gravity | 1.49 |
| color | White to Pale Yellow |
| Water Solubility | Soluble in water. |
| Sensitive | Hygroscopic |
| Hydrolytic Sensitivity | 0: forms stable aqueous solutions |
| BRN | 3717603 |
| Stability: | Very Hygroscopic |
| InChI | 1S/C2HF3O2.K/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1 |
| InChIKey | CUNPJFGIODEJLQ-UHFFFAOYSA-M |
| SMILES | [K+].[O-]C(=O)C(F)(F)F |
| LogP | -3.12 at 20℃ |
| CAS DataBase Reference | 2923-16-2(CAS DataBase Reference) |
| EPA Substance Registry System | Acetic acid, 2,2,2-trifluoro-, potassium salt (1:1) (2923-16-2) |
Safety Information
| Hazard Codes | Xi,N,T+ |
| Risk Statements | 36/37/38-50-28 |
| Safety Statements | 26-36-61-45-22-20-37 |
| RIDADR | 3288 |
| WGK Germany | 3 |
| F | 3-10 |
| Hazard Note | Irritant/Hygroscopic |
| TSCA | No |
| HazardClass | IRRITANT, MOISTURE SENSITIVE, HYGROSCOPIC |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 29159000 |
| Storage Class | 13 - Non Combustible Solids |
| Hazard Classifications | Aquatic Chronic 3 |
Potassium trifluoroacetate Usage And Synthesis
| Chemical Properties | white crystalline powder |
| Uses | It is a reagent for preparation of aryl trifluoromethyl sulfides, by heating with the diaryl disulfide. |
| Flammability and Explosibility | Non flammable |
| Synthesis | 75-89-8 2923-16-2 Example 14: Synthesis of potassium trifluoroacetate (CF3-COOK(5)); In a 500 mL glass flask, 20 mL of water, 73 mL of acetonitrile (MeCN), 1.33 g of potassium bromide (KBr), 0.46 g of TEMPO, and 10 g of 2,2,2-trifluoroethanol were sequentially added. The flask was equipped with a dropping funnel and a stirrer. An aqueous solution of sodium hypochlorite (NaOCl) (15 wt%, 175 mL) with pH adjusted to 8-9 was added in three batches through the dropping funnel under stirring at room temperature and the addition process took two days. Upon completion of the reaction, concentrated sulfuric acid and water were added to the reaction mixture to adjust the pH to 1-2. The reaction mixture was extracted three times with ether. The ether phases were combined and dried with magnesium sulfate, followed by distillation at atmospheric pressure to remove the ether. To the distillate was added 60 mL of methanol and 7 g of potassium methanolate and stirred for 1 h at room temperature. The solvent was evaporated after filtration to give potassium trifluoroacetate (13.13 g, 86% yield) as a colorless solid.19F NMR (D2O): -76.82 (s, 3F). |
| Purification Methods | To purify it, dissolve the salt in trifluoroacetic acid with ca 2% of trifluoroacetic anhydride, filter it and evaporate it carefully to dryness (avoid over heating), and finally dry it in a vacuum at 100o. It can be recrystallised from trifluoroacetic acid (solubility in the acid is ca 50.1%). [Simons & Lorentzen J Am Chem Soc 74 4746 1952, Hara & Cady J Am Chem Soc 76 4285 1954, Watt & Muga J Inorg Nucl Chem 9 166 1959, Beilstein 2 IV 458.] |
| References | [1] Patent: WO2011/50131, 2011, A2. Location in patent: Page/Page column 40
[2] Journal of Fluorine Chemistry, 2012, vol. 141, p. 35 - 40 |
Potassium trifluoroacetate Preparation Products And Raw materials
| Raw materials | Borazine, hexamethyl--->Carbon dioxide-->Trifluoroacetic acid-->Sulfuric acid-->Sodium hypochlorite-->Potassium bromide-->Trifluoroacetonitrile-->2,2,2-Trifluoroethanol-->TEMPO |
| Preparation Products | 1-FLUORO-4-(TRIFLUOROMETHYLTHIO)BENZENE-->TRIFLUOROMETHYL SULFINYL CHLORIDE-->1,1,1,3,3,3-Hexafluoro-2-propanol |
