654-99-9
| Name | 5-FLUORO-2-(TRIFLUOROMETHYL)BENZOIC ACID |
| CAS | 654-99-9 |
| EINECS(EC#) | 626-221-8 |
| Molecular Formula | C8H4F4O2 |
| MDL Number | MFCD00083521 |
| Molecular Weight | 208.11 |
| MOL File | 654-99-9.mol |
Chemical Properties
| Appearance | white to light yellow crystal powder |
| Melting point | 80-83 °C (lit.) |
| Boiling point | 238.2±40.0 °C(Predicted) |
| density | 1.489±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | slightly sol. in Methanol |
| form | powder to crystal |
| pka | 2.89±0.36(Predicted) |
| color | White to Almost white |
| BRN | 2618195 |
| InChI | InChI=1S/C8H4F4O2/c9-4-1-2-6(8(10,11)12)5(3-4)7(13)14/h1-3H,(H,13,14) |
| InChIKey | BRFNBGWEOKQIND-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(F)=CC=C1C(F)(F)F |
| CAS DataBase Reference | 654-99-9(CAS DataBase Reference) |
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 | 29163990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |