N-Methyl-2,2,2-trifluoroacetamide
- CAS NO.：815-06-5
- Empirical Formula: C3H4F3NO
- Molecular Weight: 127.07
- MDL number: MFCD00009670
- EINECS: 212-417-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-04-16 16:23:18
What is N-Methyl-2,2,2-trifluoroacetamide?
Chemical properties
WHITE CRYSTALS OR CRYSTALLINE POWDER
The Uses of N-Methyl-2,2,2-trifluoroacetamide
N-Methyltrifluoroacetamide is a useful synthetic intermediate. It is used to prepare electrophilic 11b-aryl derivs. of estradiol as steroidal affinity labels of the estrogen receptor a. It is also used to synthesize amino substituted derivatives of 5'-amino-5'-deoxy-5'-noraristeromycin as antiviral agent.
General Description
The high-resolution proton and fluorine resonance spectra of N-methyltrifluoroacetamide in tetrahydrofuran and acetone was studied.
Properties of N-Methyl-2,2,2-trifluoroacetamide
| Melting point: | 49-51 °C(lit.) |
| Boiling point: | 156-157 °C(lit.) |
| Density | 1.3215 (estimate) |
| Flash point: | 165 °F |
| storage temp. | Inert atmosphere,Room Temperature |
| form | powder to crystal |
| pka | 11.54±0.46(Predicted) |
| color | White to Almost white |
| Sensitive | Hygroscopic |
| BRN | 1703392 |
| InChI | InChI=1S/C3H4F3NO/c1-7-2(8)3(4,5)6/h1H3,(H,7,8) |
| CAS DataBase Reference | 815-06-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Acetamide, 2,2,2-trifluoro-N-methyl-(815-06-5) |
| EPA Substance Registry System | Acetamide, 2,2,2-trifluoro-N-methyl- (815-06-5) |
Safety information for N-Methyl-2,2,2-trifluoroacetamide
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. 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. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
Computed Descriptors for N-Methyl-2,2,2-trifluoroacetamide
| InChIKey | IQNHBUQSOSYAJU-UHFFFAOYSA-N |
| SMILES | C(NC)(=O)C(F)(F)F |
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