4076-36-2
| Name | 5-Methyl-1H-tertazole |
| CAS | 4076-36-2 |
| EINECS(EC#) | 609-862-8 |
| Molecular Formula | C13H13N3 |
| MDL Number | MFCD00129971 |
| Molecular Weight | 211.26 |
| MOL File | 4076-36-2.mol |
Chemical Properties
| Melting point | 142-146 °C(lit.) |
| Boiling point | 233.3±23.0 °C(Predicted) |
| density | 1.319±0.06 g/cm3(Predicted) |
| storage temp. | Keep Cold |
| solubility | Chloroform, DMSO, Methanol |
| form | Solid |
| pka | pK1:3.32 (25°C) |
| color | White to Off-White |
| Water Solubility | Soluble in water. |
| InChI | InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6) |
| InChIKey | XZGLNCKSNVGDNX-UHFFFAOYSA-N |
| SMILES | N1=C(C)N=NN1 |
| CAS DataBase Reference | 4076-36-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 1H-Tetrazole, 5-methyl-(4076-36-2) |
| EPA Substance Registry System | 2H-Tetrazole, 5-methyl- (4076-36-2) |
Safety Data
| Symbol(GHS) |   GHS02,GHS07 |
| Signal word | Warning |
| Hazard statements | H228-H315-H319-H335 |
| Precautionary statements | P280a-P304+P340-P405-P501a-P261-P305+P351+P338-P210-P240-P241-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
| Hazard Codes | Xi,F |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 1325 |
| WGK Germany | 3 |
| Hazard Note | Flammable/Irritant/Keep Cold |
| HS Code | 2933.99.9701 |
| HazardClass | IRRITANT |
| PackingGroup | II |