3-(Trifluoromethoxy)benzoic acid
- Product Name3-(Trifluoromethoxy)benzoic acid
- CAS1014-81-9
- MFC8H5F3O3
- MW206.12
- EINECS213-802-2
- MOL File1014-81-9.mol
Chemical Properties
| Melting point | 89-92 °C (lit.) |
| Boiling point | 203°C (rough estimate) |
| Density | 1.4251 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| pka | 3.82±0.10(Predicted) |
| form | Powder |
| color | White |
| BRN | 2579574 |
| InChI | InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13) |
| InChIKey | OKPFIWIMBJNFSE-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=CC(OC(F)(F)F)=C1 |
| CAS DataBase Reference | 1014-81-9(CAS DataBase Reference) |
| NIST Chemistry Reference | M-trifluoromethoxybenzoic acid(1014-81-9) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38-R36/37/38 |
| Safety Statements | 26-36-37/39-S37/39-S26 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29189900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
