3-Acetyl-1-(phenylsulfonyl)pyrrole
- Product Name3-Acetyl-1-(phenylsulfonyl)pyrrole
- CAS81453-98-7
- MFC12H11NO3S
- MW249.29
- EINECS
- MOL File81453-98-7.mol
Chemical Properties
| Melting point | 96-99 °C(lit.) |
| Boiling point | 435.7±37.0 °C(Predicted) |
| Density | 1.3164 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| form | Solid |
| pka | -11.54±0.70(Predicted) |
| InChI | 1S/C12H11NO3S/c1-10(14)11-7-8-13(9-11)17(15,16)12-5-3-2-4-6-12/h2-9H,1H3 |
| InChIKey | HTMLKRFQINMFRA-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccn(c1)S(=O)(=O)c2ccccc2 |
| CAS DataBase Reference | 81453-98-7(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HS Code | 29350090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |