4-Diethylamino-1,1,1-trifluorobut-3-en-2-one
- Product Name4-Diethylamino-1,1,1-trifluorobut-3-en-2-one
- CAS21045-62-5
- MFC8H12F3NO
- MW195.18
- EINECS
- MOL File21045-62-5.mol
Chemical Properties
| Melting point | 12-13°C |
| Boiling point | 97-98°C 2mm |
| Density | 1.116±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| refractive index | 1.4879 |
| storage temp. | 2-8°C |
| form | solid |
| pka | 5.950±0.70(predicted) |
| InChI | 1S/C8H12F3NO/c1-3-12(4-2)6-5-7(13)8(9,10)11/h5-6H,3-4H2,1-2H3/b6-5+ |
| InChIKey | QKPHMBNBSBNCJN-AATRIKPKSA-N |
| SMILES | CCN(CC)/C=C/C(C(F)(F)F)=O |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36/37/39 |
| HazardClass | IRRITANT |
| HS Code | 2914120000 |
| Storage Class | 11 - Combustible Solids |