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| IUPAC Name: | 2,4-dimethyl-3-phenyl-1H-pyrazol-5-one |
| Description: | 1,4-Dimethyl-5-phenyl-1H-pyrazol-3-ol is an impurity in the synthesis of Pyrametostrobin (P847010), a novel fungicide. Also, it is derived from 1-Methyl-2-nitrobenzene (N572306), which is a toxic pollutant of the environment because of its large scale use in the production of explosives. It is a useful synthetic intermediate. It shows carcinogenic activity in rats. |
| Molecular Weight: | 188.23 |
| Molecular Formula: | C11H12N2O |
| Canonical SMILES: | CC1=C(N(NC1=O)C)C2=CC=CC=C2 |
| InChI: | InChI=1S/C11H12N2O/c1-8-10(13(2)12-11(8)14)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,12,14) |
| InChI Key: | KJSWOJMGXUBVTA-UHFFFAOYSA-N |
| Solubility: | Dichloromethane |
| Appearance: | Yellow Solid |
| Storage: | -20°C Freezer |
| References: | Huang, C., et al. J. Sep., 40, 2335-2343 (2017). |
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