5-Benzylthio-1H-tetrazole
- Product Name5-Benzylthio-1H-tetrazole
- CAS21871-47-6
- MFC8H8N4S
- MW192.24
- EINECS606-853-0
- MOL File21871-47-6.mol
Chemical Properties
| Melting point | 135-138°C |
| Boiling point | 389.3±35.0 °C(Predicted) |
| Density | 1.38 |
| refractive index | n |
| Flash point | 2 °C |
| storage temp. | -20°C Freezer, Under inert atmosphere |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 3.94±0.24(Predicted) |
| color | clear |
| InChI | InChI=1S/C8H8N4S/c1-2-4-7(5-3-1)6-13-8-9-11-12-10-8/h1-5H,6H2,(H,9,10,11,12) |
| InChIKey | GXGKKIPUFAHZIZ-UHFFFAOYSA-N |
| SMILES | N1=C(SCC2=CC=CC=C2)N=NN1 |
| CAS DataBase Reference | 21871-47-6(CAS DataBase Reference) |
Safety Information
| Hazard Codes | F,Xn,Xi |
| Risk Statements | 11-20/21/22-36-36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | UN 1648 3/PG 2 |
| WGK Germany | 3 |
| HazardClass | 4.1 |
| PackingGroup | III |
| HS Code | 29309090 |
| Storage Class | 11 - Combustible Solids |
