4-(1H-Imidazol-1-yl)benzoic acid
- Product Name4-(1H-Imidazol-1-yl)benzoic acid
- CAS17616-04-5
- MFC10H8N2O2
- MW188.18
- EINECS
- MOL File17616-04-5.mol
Chemical Properties
| Melting point | 305 °C (dec.)(lit.) |
| Boiling point | 403.6±28.0 °C(Predicted) |
| Density | 1.28±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 3.65±0.10(Predicted) |
| form | powder to crystal |
| color | White to Almost white |
| InChI | InChI=1S/C10H8N2O2/c13-10(14)8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,(H,13,14) |
| InChIKey | LFIDZIWWYNTQOQ-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(N2C=NC=C2)C=C1 |
| CAS DataBase Reference | 17616-04-5(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36-37/39-36/37/39-22 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HS Code | 29332900 |
