1099597-82-6
| Name | 4-(Trifluoromethylsulfony)phenylacetic acid |
| CAS | 1099597-82-6 |
| Molecular Formula | C9H7F3O4S |
| MDL Number | MFCD04973012 |
| Molecular Weight | 268 |
| MOL File | 1099597-82-6.mol |
Chemical Properties
| Melting point | 125-128℃ |
| Boiling point | 381.8±42.0 °C(Predicted) |
| density | 1.532±0.06 g/cm3(Predicted) |
| form | solid |
| pka | 3.78±0.10(Predicted) |
| Water Solubility | Slightly soluble in water, soluble in organic solvents. |
| InChI | 1S/C9H7F3O4S/c10-9(11,12)17(15,16)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14) |
| InChIKey | FIEUCHICQSJBAU-UHFFFAOYSA-N |
| SMILES | OC(=O)Cc1ccc(cc1)S(=O)(=O)C(F)(F)F |
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 |
| HazardClass | IRRITANT |
| HS Code | 2930909899 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |