Chemical Properties
| Melting point | 132.5-137.4 °C(lit.) |
| Boiling point | 555.3±60.0 °C(Predicted) |
| Density | 1.378±0.06 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| solubility | DMSO: 22 mg/mL, soluble |
| form | A solid |
| pka | 4.33±0.10(Predicted) |
| color | white |
| InChI | InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20) |
| InChIKey | IULOBWFWYDMECP-UHFFFAOYSA-N |
| SMILES | C1(CC(O)=O)=CC=C(CCNS(C2=CC=C(Cl)C=C2)(=O)=O)C=C1 |
| CAS DataBase Reference | 79094-20-5(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36/37 |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
