3-(4-Bromophenyl)-1-phenylpyrazole-4-propionic acid
- Product Name3-(4-Bromophenyl)-1-phenylpyrazole-4-propionic acid
- CAS108446-80-6
- CBNumberCB9249703
- MFC18H15BrN2O2
- MW371.23
- MDL NumberMFCD07784415
- MOL FileMol file
Chemical Properties
| Melting point | 156-161 °C |
| Boiling point | 548.4±45.0 °C(Predicted) |
| Density | 1.43±0.1 g/cm3(Predicted) |
| pka | 4.44±0.10(Predicted) |
| form | solid |
| InChI | 1S/C18H15BrN2O2/c19-15-9-6-13(7-10-15)18-14(8-11-17(22)23)12-21(20-18)16-4-2-1-3-5-16/h1-7,9-10,12H,8,11H2,(H,22,23) |
| InChIKey | XQKUUAKMGDILQK-UHFFFAOYSA-N |
| SMILES | OC(=O)CCc1cn(nc1-c2ccc(Br)cc2)-c3ccccc3 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Hazard statements | H413 |
| WGK Germany | 3 |
| Storage Class | 13 - Non Combustible Solids |
| Hazard Classifications | Aquatic Chronic 4 |