4-(1H-PYRAZOL-1-YL)BENZOIC ACID
- Product Name4-(1H-PYRAZOL-1-YL)BENZOIC ACID
- CAS16209-00-0
- MFC10H8N2O2
- MW188.18
- EINECS
- MOL File16209-00-0.mol
Chemical Properties
| Melting point | 269 °C |
| Boiling point | 360.4±25.0 °C(Predicted) |
| Density | 1.28±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder to crystal |
| pka | 4.01±0.10(Predicted) |
| color | White to Light yellow to Light orange |
| InChI | InChI=1S/C10H8N2O2/c13-10(14)8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H,(H,13,14) |
| InChIKey | XOEKYPIBVOGCDG-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(N2C=CC=N2)C=C1 |
| CAS DataBase Reference | 16209-00-0(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 2916399090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
