3,4,5-Trifluorobenzoic acid
- Product Name3,4,5-Trifluorobenzoic acid
- CAS121602-93-5
- MFC7H3F3O2
- MW176.09
- EINECS624-063-4
- MOL File121602-93-5.mol
Chemical Properties
| Melting point | 97-99 °C (lit.) |
| Boiling point | 116-118C/100Torr |
| Density | 1,12g/cm |
| refractive index | 1,471-1,473 |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder to crystal |
| pka | 3.46±0.10(Predicted) |
| color | White to Almost white |
| BRN | 7476737 |
| InChI | InChI=1S/C7H3F3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12) |
| InChIKey | VJMYKESYFHYUEQ-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(F)=C(F)C(F)=C1 |
| CAS DataBase Reference | 121602-93-5(CAS DataBase Reference) |
| EPA Substance Registry System | Benzoic acid, 3,4,5-trifluoro- (121602-93-5) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39-36 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HazardClass | IRRITANT |
| HS Code | 29163990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
