121602-93-5
| Name | 3,4,5-Trifluorobenzoic acid |
| CAS | 121602-93-5 |
| EINECS(EC#) | 624-063-4 |
| Molecular Formula | C7H3F3O2 |
| MDL Number | MFCD00074962 |
| Molecular Weight | 176.09 |
| MOL File | 121602-93-5.mol |
Chemical Properties
| Appearance | white to light yellow crystal powder |
| 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 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 |
| TSCA | TSCA listed |
| HazardClass | IRRITANT |
| HS Code | 29163990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |