57620-22-1
| Name | 2,4-Dinitro-N-(phenylmethyl)-benzenesulfonamide |
| CAS | 57620-22-1 |
| Molecular Formula | C13H11N3O6S |
| MDL Number | MFCD22644610 |
| Molecular Weight | 337.31 |
| MOL File | 57620-22-1.mol |
Chemical Properties
| Boiling point | 541.4±60.0 °C(Predicted) |
| density | 1.503±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMSO: soluble15mg/mL (clear solution) |
| form | powder |
| pka | 8.85±0.30(Predicted) |
| color | white to beige |
| InChI | 1S/C13H11N3O6S/c17-15(18)11-6-7-13(12(8-11)16(19)20)23(21,22)14-9-10-4-2-1-3-5-10/h1-8,14H,9H2 |
| InChIKey | XKHQYTSLQZPZOF-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)NCc2ccccc2 |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Dam. 1 |