Chemical Properties
| Melting point | 174-176°C |
| Boiling point | 645.5±55.0 °C(Predicted) |
| Density | 1.412±0.06 g/cm3(Predicted) |
| storage temp. | Store at +4°C |
| solubility | H2O: insoluble <2mg/mL |
| pka | 2.30±0.29(Predicted) |
| form | solid |
| color | brown |
| Water Solubility | H2O: insoluble <2mg/mL DMSO: >5mg/mL |
| InChI | 1S/C20H17ClN4O3/c21-15-5-3-14(4-6-15)20(26)24-12-10-23(11-13-24)17-7-8-18(25(27)28)19-16(17)2-1-9-22-19/h1-9H,10-13H2 |
| InChIKey | KLNPVNZJCWIQSK-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)c3ccc(Cl)cc3)c4cccnc14 |
Safety Information
| Hazard Codes | T |
| Risk Statements | 25-36/37/38 |
| Safety Statements | 26-45 |
| RIDADR | UN 2811 6.1 / PGIII |
| WGK Germany | 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
