4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid
- Product Name4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid
- CAS60875-16-3
- CBNumberCB1711222
- MFC11H10N2O3
- MW218.21
- EINECS262-509-6
- MDL NumberMFCD00003135
- MOL File60875-16-3.mol
Chemical Properties
| Melting point: | 285 °C (dec.) (lit.) |
| Boiling point: | 358.89°C (rough estimate) |
| Density | 1.2699 (rough estimate) |
| refractive index | 1.5300 (estimate) |
| storage temp. | Refrigerator |
| solubility | DMSO (Slightly, Heated), Methanol (Slightly) |
| form | Solid |
| pka | 4.31±0.10(Predicted) |
| color | Pale Yellow to Yellow |
| InChI | 1S/C11H10N2O3/c1-7-6-10(14)13(12-7)9-4-2-8(3-5-9)11(15)16/h2-5H,6H2,1H3,(H,15,16) |
| InChIKey | CUGBBQWDGCXWNB-UHFFFAOYSA-N |
| SMILES | CC1=NN(C(=O)C1)c2ccc(cc2)C(O)=O |
| CAS DataBase Reference | 60875-16-3(CAS DataBase Reference) |
| EPA Substance Registry System | Benzoic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- (60875-16-3) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302 | |||||||||
| Precautionary statements | P280-P305+P351+P338 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 24/25 | |||||||||
| WGK Germany | 3 | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 2933199090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral | |||||||||
| NFPA 704: |
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