1246088-50-5
| Name | 5-Bromo-2-ethyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine |
| CAS | 1246088-50-5 |
| Molecular Formula | C15H13BrN2O2S |
| MDL Number | MFCD17171324 |
| Molecular Weight | 365.24 |
| MOL File | 1246088-50-5.mol |
Chemical Properties
| Boiling point | 509.8±60.0 °C(Predicted) |
| density | 1.54±0.1 g/cm3(Predicted) |
| form | solid |
| pka | -0.63±0.30(Predicted) |
| InChI | 1S/C15H13BrN2O2S/c1-2-13-9-11-8-12(16)10-17-15(11)18(13)21(19,20)14-6-4-3-5-7-14/h3-10H,2H2,1H3 |
| InChIKey | LXKRNOSXVMMUAL-UHFFFAOYSA-N |
| SMILES | CCc1cc2cc(Br)cnc2n1S(=O)(=O)c3ccccc3 |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |