4-(Trifluoromethyl)mandelic acid
- Product Name4-(Trifluoromethyl)mandelic acid
- CAS395-35-7
- MFC9H7F3O3
- MW220.15
- EINECS206-900-1
- MOL File395-35-7.mol
Chemical Properties
| Melting point | 130-134 °C |
| Boiling point | 324.2±37.0 °C(Predicted) |
| Density | 1.3670 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 3.06±0.10(Predicted) |
| form | solid |
| Appearance | White to off-white Solid |
| BRN | 2979949 |
| InChI | 1S/C9H7F3O3/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7,13H,(H,14,15) |
| InChIKey | SDGXYUQKJPFLDG-UHFFFAOYSA-N |
| SMILES | OC(C(O)=O)c1ccc(cc1)C(F)(F)F |
| CAS DataBase Reference | 395-35-7(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 37/39-26 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29181990 |
| Storage Class | 11 - Combustible Solids |
