1198096-55-7
| Name | tert-Butyl 5-bromo-7-chloro-1H-pyrrolo-[2,3-c]pyridine-1-carboxylate |
| CAS | 1198096-55-7 |
| Molecular Formula | C12H12BrClN2O2 |
| MDL Number | MFCD13176644 |
| Molecular Weight | 331.59 |
| MOL File | 1198096-55-7.mol |
Chemical Properties
| Boiling point | 419.9±55.0 °C(Predicted) |
| density | 1.55±0.1 g/cm3(Predicted) |
| form | solid |
| pka | 1.80±0.30(Predicted) |
| InChI | 1S/C12H12BrClN2O2/c1-12(2,3)18-11(17)16-5-4-7-6-8(13)15-10(14)9(7)16/h4-6H,1-3H3 |
| InChIKey | ZTHJWXDIQUDVFC-UHFFFAOYSA-N |
| SMILES | CC(C)(C)OC(=O)n1ccc2cc(Br)nc(Cl)c12 |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |