3-(4-Bromophenyl)-1H-pyrazole-5-carboxylic acid
- Product Name3-(4-Bromophenyl)-1H-pyrazole-5-carboxylic acid
- CAS46413-66-5
- MFC10H7BrN2O2
- MW267.08
- EINECS
- MOL File46413-66-5.mol
Chemical Properties
| Melting point | 258-262 °C (lit.) |
| Boiling point | 535.9±40.0 °C(Predicted) |
| Density | 1.723±0.06 g/cm3(Predicted) |
| form | solid |
| pka | 3.83±0.10(Predicted) |
| InChI | 1S/C10H7BrN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15) |
| InChIKey | QEOVHDPWTQAMLB-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cc(n[nH]1)-c2ccc(Br)cc2 |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22 |
| Safety Statements | 36 |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |