4-(1H-Pyrrol-1-yl)benzoic acid
- Product Name4-(1H-Pyrrol-1-yl)benzoic acid
- CAS22106-33-8
- MFC11H9NO2
- MW187.19
- EINECS
- MOL File22106-33-8.mol
Chemical Properties
| Melting point | 286-289 °C (lit.) |
| Boiling point | 355.5±25.0 °C(Predicted) |
| Density | 1.18±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder |
| pka | 3.83±0.10(Predicted) |
| color | white |
| Sensitive | Moisture Sensitive |
| InChI | 1S/C11H9NO2/c13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H,(H,13,14) |
| InChIKey | NLSIIPKSANRIGS-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccc(cc1)-n2cccc2 |
| CAS DataBase Reference | 22106-33-8(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 2916399090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |