5334-29-2
| Name | 1-(4-CHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-OL |
| CAS | 5334-29-2 |
| Molecular Formula | C11H7ClN4O |
| MDL Number | MFCD04971629 |
| Molecular Weight | 246.65 |
| MOL File | 5334-29-2.mol |
Chemical Properties
| Melting point | >300 °C |
| Boiling point | 491.5±25.0 °C(Predicted) |
| density | 1.58±0.1 g/cm3(Predicted) |
| form | solid |
| pka | 8.43±0.10(Predicted) |
| InChI | 1S/C11H7ClN4O/c12-7-1-3-8(4-2-7)16-10-9(5-15-16)11(17)14-6-13-10/h1-6H,(H,13,14,17) |
| InChIKey | MHFVAIHAHMEWHA-UHFFFAOYSA-N |
| SMILES | Oc1ncnc2n(ncc12)-c3ccc(Cl)cc3 |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |