40647-02-7
| Name | BTO-1 |
| CAS | 40647-02-7 |
| Molecular Formula | C9H4N4O4S |
| MDL Number | MFCD11045282 |
| Molecular Weight | 264.22 |
| MOL File | 40647-02-7.mol |
Chemical Properties
| Boiling point | 553.0±60.0 °C(Predicted) |
| density | 1.89±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | H2O: <2ML/mL |
| form | solid |
| pka | 14.67±0.30(Predicted) |
| color | tan |
| Water Solubility | H2O: <2mL/mL DMSO: ≥5mg/mL |
| InChI | 1S/C9H4N4O4S/c10-3-4-1-5-7(6(2-4)13(16)17)18-9(8(11)14)12(5)15/h1-2H,(H2,11,14) |
| InChIKey | FKRBAXZAJBBIAJ-UHFFFAOYSA-N |
| SMILES | NC(=O)c1sc2c(cc(cc2[n+]1[O-])C#N)[N+]([O-])=O |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |