749234-11-5
| Name | CK2 INHIBITOR II |
| CAS | 749234-11-5 |
| Molecular Formula | C9H7Br4N3 |
| MDL Number | MFCD08705322 |
| Molecular Weight | 476.79 |
| MOL File | 749234-11-5.mol |
Chemical Properties
| Melting point | >330℃ (Decomposition) |
| Boiling point | 497.7±55.0 °C(Predicted) |
| density | 2.410±0.06 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| solubility | ≥23.85 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O |
| form | solid |
| pka | 4.55±0.30(Predicted) |
| color | White to off-white |
| InChI | 1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15) |
| InChIKey | SLPJGDQJLTYWCI-UHFFFAOYSA-N |
| SMILES | CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |