115029-22-6
| Name | 2-FLUORO-3-(TRIFLUOROMETHYL)BENZOIC ACID |
| CAS | 115029-22-6 |
| Molecular Formula | C8H4F4O2 |
| MDL Number | MFCD00040980 |
| Molecular Weight | 208.11 |
| MOL File | 115029-22-6.mol |
Chemical Properties
| Appearance | White to beige crystalline powder |
| Melting point | 126-128 °C (lit.) |
| Boiling point | 249.6±40.0 °C(Predicted) |
| density | 1.489±0.06 g/cm3(Predicted) |
| storage temp. | Store at room temperature |
| form | Crystalline Powder |
| pka | 2.84±0.10(Predicted) |
| color | White to beige |
| InChI | InChI=1S/C8H4F4O2/c9-6-4(7(13)14)2-1-3-5(6)8(10,11)12/h1-3H,(H,13,14) |
| InChIKey | XVEAMDNSCPPPCP-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=CC(C(F)(F)F)=C1F |
| CAS DataBase Reference | 115029-22-6(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338-P280a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
| 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 |