433-97-6
| Name | 2-(Trifluoromethyl)benzoic acid |
| CAS | 433-97-6 |
| EINECS(EC#) | 240-989-8 |
| Molecular Formula | C8H5F3O2 |
| MDL Number | MFCD00003482 |
| Molecular Weight | 190.12 |
| MOL File | 433-97-6.mol |
Chemical Properties
| Appearance | slightly yellow to yellow-brown crystalline powder |
| Melting point | 107-110 °C(lit.) |
| Boiling point | 247 °C753 mm Hg(lit.) |
| density | 3.375 g/mL at 25 °C(lit.) |
| Fp | 247-254°C |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Crystalline Powder |
| pka | 3.20±0.36(Predicted) |
| color | Slightly yellow to yellow-brown |
| Water Solubility | 4.8g/L(25 ºC) |
| Detection Methods | HPLC,NMR |
| BRN | 976984 |
| InChI | 1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13) |
| InChIKey | FBRJYBGLCHWYOE-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccccc1C(F)(F)F |
| CAS DataBase Reference | 433-97-6(CAS DataBase Reference) |
| NIST Chemistry Reference | «alpha»,«alpha»,«alpha»-Trifluoro-o-toluic acid(433-97-6) |
| EPA Substance Registry System | Benzoic acid, 2-(trifluoromethyl)- (433-97-6) |
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 | Xn,N,Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 1549 6.1/PG 3 |
| WGK Germany | 2 |
| F | 1-10 |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HazardClass | IRRITANT |
| HS Code | 29163900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |