3-Fluoro-4-(trifluoromethyl)benzoic acid
- Product Name3-Fluoro-4-(trifluoromethyl)benzoic acid
- CAS115754-21-7
- MFC8H4F4O2
- MW208.11
- EINECS624-783-9
- MOL File115754-21-7.mol
Chemical Properties
| Melting point | 174-179 °C (lit.) |
| Boiling point | 251℃ |
| Density | 1.489 |
| Flash point | 106℃ |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 3.35±0.10(Predicted) |
| color | White to Off-White |
| InChI | InChI=1S/C8H4F4O2/c9-6-3-4(7(13)14)1-2-5(6)8(10,11)12/h1-3H,(H,13,14) |
| InChIKey | HRIHSNPFVGMAKX-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1 |
| CAS DataBase Reference | 115754-21-7(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29163990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
