39689-08-2
| Name | 5-(1H-BENZOIMIDAZOL-2-YLSULFANYL)-FURAN-2-CARBALDEHYDE |
| CAS | 39689-08-2 |
| Molecular Formula | C12H8N2O2S |
| MDL Number | MFCD00442014 |
| Molecular Weight | 244.27 |
| MOL File | 39689-08-2.mol |
Chemical Properties
| Melting point | 162-163 °C |
| Boiling point | 516.2±60.0 °C(Predicted) |
| density | 1.46±0.1 g/cm3(Predicted) |
| form | solid |
| pka | 10.56±0.10(Predicted) |
| InChI | 1S/C12H8N2O2S/c15-7-8-5-6-11(16-8)17-12-13-9-3-1-2-4-10(9)14-12/h1-7H,(H,13,14) |
| InChIKey | CATAEVIKQDVMNF-UHFFFAOYSA-N |
| SMILES | O=Cc1ccc(Sc2nc3ccccc3[nH]2)o1 |
Safety Data
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | WGK 3 |
| HazardClass | IRRITANT |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Skin Sens. 1 |