4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
- Product Name4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
- CAS2386-28-9
- MFC9H11NO3
- MW181.19
- EINECS
- MOL File2386-28-9.mol
Chemical Properties
| Melting point | 205-207 °C(lit.) |
| Boiling point | 396.7±42.0 °C(Predicted) |
| Density | 1+-.0.06 g/cm3(Predicted) |
| storage temp. | Storage temp. 2-8°C |
| pka | 4.71±0.50(Predicted) |
| form | powder |
| Appearance | Off-white to light brown Solid |
| InChI | 1S/C9H11NO3/c1-4-7(6(3)11)5(2)10-8(4)9(12)13/h10H,1-3H3,(H,12,13) |
| InChIKey | SQFWNYAZHOVSPA-UHFFFAOYSA-N |
| SMILES | CC(=O)c1c(C)[nH]c(C(O)=O)c1C |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |