139332-64-2
| Name | DBD-PZ |
| CAS | 139332-64-2 |
| Molecular Formula | C12H17N5O3S |
| MDL Number | MFCD00191375 |
| Molecular Weight | 311.36 |
| MOL File | 139332-64-2.mol |
Chemical Properties
| Melting point | 121.0 to 125.0 °C |
| Boiling point | 513.5±60.0 °C(Predicted) |
| density | 1.373±0.06 g/cm3(Predicted) |
| form | powder to crystal |
| pka | 8.41±0.10(Predicted) |
| color | Light yellow to Yellow to Orange |
| InChI | InChI=1S/C12H17N5O3S/c1-16(2)21(18,19)10-4-3-9(11-12(10)15-20-14-11)17-7-5-13-6-8-17/h3-4,13H,5-8H2,1-2H3 |
| InChIKey | XFQLOSBBYVMBGT-UHFFFAOYSA-N |
| SMILES | N1=C2C(N3CCNCC3)=CC=C(S(N(C)C)(=O)=O)C2=NO1 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| F | 9 |
| HS Code | 2935.90.9500 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |