3,3,3-Trifluoro-2,2-dimethylpropionic acid
- CAS NO.：889940-13-0
- Empirical Formula: C5H7F3O2
- Molecular Weight: 156.1
- MDL number: MFCD08445819
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-05-27 23:53:45
What is 3,3,3-Trifluoro-2,2-dimethylpropionic acid?
The Uses of 3,3,3-Trifluoro-2,2-dimethylpropionic acid
3,3,3-Trifluoro-2,2-dimethylpropanoic Acid, is an organic buliding blocks, that can be used in the synthesis of variety of pharmaceutical compounds, such as inhibitors.
Synthesis
Prepare a dry, clean 1L four-necked flask. 18g of 3,3,3-trifluoro-2,2-dimethylpropanenitrile was added to it, and 500 ml of a 5 mol/L sodium hydroxide aqueous solution was placed in the flask; stir well; the mixture was heated to a temperature of 90-100 ° C and refluxed overnight. The reaction was terminated until 3,3,3-trifluoro-2,2-dimethylpropanenitrile was completely reacted. Concentrated hydrochloric acid was used to adjust the pH to 1. Continue stirring for 30 minutes, Extracted with 50*3ml of dichloromethane; the organic layers were combined and concentrated to give a white solid (3,3,3-Trifluoro-2,2-dimethylpropionic acid). The yield was 84.3% (GC 98%).
Properties of 3,3,3-Trifluoro-2,2-dimethylpropionic acid
| Melting point: | 66-71 °C |
| Boiling point: | 76-77°C/14mm |
| Density | 1.278±0.06 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 3.10±0.10(Predicted) |
| color | White to Off-White |
| InChI | InChI=1S/C5H7F3O2/c1-4(2,3(9)10)5(6,7)8/h1-2H3,(H,9,10) |
| CAS DataBase Reference | 889940-13-0 |
Safety information for 3,3,3-Trifluoro-2,2-dimethylpropionic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3,3,3-Trifluoro-2,2-dimethylpropionic acid
| InChIKey | VMFSJVUPIXOCFO-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C(C)(C)C(F)(F)F |
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