Sodium trifluoroacetate
Synonym(s):Sodium trifluoroacetate;Trifluoroacetic acid sodium salt
- CAS NO.：2923-18-4
- Empirical Formula: C2F3NaO2
- Molecular Weight: 136.01
- MDL number: MFCD00013217
- EINECS: 220-879-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-09-04 16:41:41
What is Sodium trifluoroacetate?
Chemical properties
Sodium trifluoroacetate is an organic metal compound with the chemical formula CF3COONa. It is a white crystalline powderr that easily absorbs moisture. This compound has the ability to add a trifluoromethyl group to halogenated aromatic hydrocarbons.
The Uses of Sodium trifluoroacetate
Sodium trifluoroacetate is used in acid catalyzed reactions. It is also used as an intermediate for active pharmaceutical ingredients (API). Further, it acts as a precursor for the trifluoromethylation of aldehydes using copper(I) halide as a catalyst.
Preparation
It can be obtained by reacting trifluoroacetic acid with sodium carbonate or sodium hydroxide.
Purification Methods
A possible contaminant is NaCl. The solid is treated with CF3CO2H and evaporated twice. Its solubility in CF3CO2H is 13.1% at 29.8o. The residue is crystallised from dilute EtOH, and the solid is dried in vacuum at 100o. [Hara & Cady J Am Chem Soc 76 4285 1954.] It can be precipitated from EtOH by adding dioxane, then recrystallising several times from hot absolute EtOH. Dry it at 120-130o/1mm. [Beilstein 2 IV 461.]
Properties of Sodium trifluoroacetate
| Melting point: | 205-207 °C (dec.) (lit.) |
| Density | 1.49 g/mL (lit.) |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | H2O: 1 M at 20 °C, clear, colorless |
| form | Crystalline Powder |
| color | White |
| Specific Gravity | 1.49 |
| PH | 7 (H2O, 20℃) |
| Water Solubility | 625 g/L (25 ºC) |
| Sensitive | Hygroscopic |
| Hydrolytic Sensitivity | 6: forms irreversible hydrate |
| BRN | 3597949 |
| Stability: | Hygroscopic |
| CAS DataBase Reference | 2923-18-4(CAS DataBase Reference) |
| EPA Substance Registry System | Acetic acid, trifluoro-, sodium salt (2923-18-4) |
Safety information for Sodium trifluoroacetate
| Signal word | Danger |
| Pictogram(s) |
 Environment GHS09 |
| GHS Hazard Statements |
H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P391:Collect spillage. Hazardous to the aquatic environment P501:Dispose of contents/container to..… |
Computed Descriptors for Sodium trifluoroacetate
| InChIKey | UYCAUPASBSROMS-UHFFFAOYSA-M |
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