1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole
- Product Name1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole
- CAS77451-51-5
- MFC9H8N4O4S
- MW268.25
- EINECS
- MOL File77451-51-5.mol
Chemical Properties
| Melting point | 133-135 °C(lit.) |
| Boiling point | 522.442±43.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.620±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| storage temp. | -20°C |
| form | Powder or Crystalline Powder |
| pka | -2.222±0.10(predicted) |
| color | White to yellow |
| InChI | 1S/C9H8N4O4S/c1-7-2-4-8(5-3-7)18(16,17)12-6-10-9(11-12)13(14)15/h2-6H,1H3 |
| InChIKey | ZQMJAWSQRGYFBM-UHFFFAOYSA-N |
| SMILES | Cc1ccc(cc1)S(=O)(=O)n2cnc(n2)[N+]([O-])=O |
| CAS DataBase Reference | 77451-51-5(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| WGK Germany | 3 |
| HS Code | 29350090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
