330-12-1
| Name | 4-(Trifluoromethoxy)benzoic acid |
| CAS | 330-12-1 |
| EINECS(EC#) | 206-352-3 |
| Molecular Formula | C8H5F3O3 |
| MDL Number | MFCD00002541 |
| Molecular Weight | 206.12 |
| MOL File | 330-12-1.mol |
Chemical Properties
| Appearance | white to light yellow crystal powder |
| Melting point | 150-154 °C(lit.) |
| Boiling point | 203°C (rough estimate) |
| density | 1.4251 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform, Methanol |
| form | Powder |
| pka | 3.85±0.10(Predicted) |
| color | White to cream |
| BRN | 977356 |
| InChI | InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13) |
| InChIKey | RATSANVPHHXDCT-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(OC(F)(F)F)C=C1 |
| CAS DataBase Reference | 330-12-1(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-(Trifluoromethoxy)benzoic acid(330-12-1) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HazardClass | IRRITANT |
| HS Code | 29189900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
