76877-34-4
| Name | 7-Diethylamino-3-[4-(iodoacetamido)phenyl]-4-methylcoumarin |
| CAS | 76877-34-4 |
| Molecular Formula | C22H23IN2O3 |
| MDL Number | MFCD00467581 |
| Molecular Weight | 490.33 |
| MOL File | 76877-34-4.mol |
Chemical Properties
| Boiling point | 658.2±55.0 °C(Predicted) |
| density | 1.531±0.06 g/cm3(Predicted) |
| form | Solid |
| pka | 12.44±0.70(Predicted) |
| color | Light yellow to yellow |
| InChI | 1S/C22H23IN2O3/c1-4-25(5-2)17-10-11-18-14(3)21(22(27)28-19(18)12-17)15-6-8-16(9-7-15)24-20(26)13-23/h6-12H,4-5,13H2,1-3H3,(H,24,26) |
| InChIKey | WIXAQXKQLNRFDF-UHFFFAOYSA-N |
| SMILES | CCN(CC)c1ccc2C(C)=C(C(=O)Oc2c1)c3ccc(NC(=O)CI)cc3 |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| RIDADR | UN 2811 6.1 / PGIII |
| WGK Germany | 3 |
| HS Code | 2932209090 |
| Storage Class | 6.1D - Non-combustible acute toxic Cat.3 toxic hazardous materials or hazardous materials causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Aquatic Chronic 4 |