1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole
- Product Name1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole
- CAS77451-51-5
- CBNumberCB1139295
- MFC9H8N4O4S
- MW268.25
- MDL NumberMFCD00009756
- MOL File77451-51-5.mol
- MSDS FileSDS
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) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| 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 | |||||||||
| NFPA 704: |
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