338976-94-6
| Name | 4-BENZOYL-1H-PYRROLE-2-CARBOXAMIDE |
| CAS | 338976-94-6 |
| Molecular Formula | C12H10N2O2 |
| MDL Number | MFCD00141917 |
| Molecular Weight | 214.22 |
| MOL File | 338976-94-6.mol |
Chemical Properties
| Melting point | 230-232°C |
| Boiling point | 461.3±30.0 °C(Predicted) |
| density | 1.301±0.06 g/cm3(Predicted) |
| form | solid |
| pka | 14.00±0.50(Predicted) |
| InChI | 1S/C12H10N2O2/c13-12(16)10-6-9(7-14-10)11(15)8-4-2-1-3-5-8/h1-7,14H,(H2,13,16) |
| InChIKey | XQAPLOZSRLYHGQ-UHFFFAOYSA-N |
| SMILES | NC(=O)c1cc(c[nH]1)C(=O)c2ccccc2 |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| WGK Germany | WGK 3 |
| HazardClass | IRRITANT |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 |