3-(1H-Pyrazol-3-yl)benzoic acid
- Product Name3-(1H-Pyrazol-3-yl)benzoic acid
- CAS850375-11-0
- CBNumberCB5363001
- MFC10H8N2O2
- MW188.18
- MDL NumberMFCD03407956
- MOL File850375-11-0.mol
Chemical Properties
| Melting point | 204 °C |
| Boiling point | 496.5±28.0 °C(Predicted) |
| Density | 1.355 |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 3.95±0.10(Predicted) |
| Appearance | White to off-white Solid |
| InChI | InChI=1S/C10H8N2O2/c13-10(14)8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,(H,11,12)(H,13,14) |
| InChIKey | RXZRBZWATRFHCS-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=CC(C2C=CNN=2)=C1 |
| FDA UNII | DR25BS8RW9 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P305+P351+P338 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22 | |||||||||
| Hazard Note | Harmful | |||||||||
| HS Code | 2933199090 | |||||||||
| NFPA 704: |
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