| Identification | Back Directory | [Name]
3-chloro-1-Methyl-4-nitro-1H-pyrazole | [CAS]
299930-70-4 | [Synonyms]
3-chloro-1-methyl-4-nitropyrazole
3-chloro-1-Methyl-4-nitro-1H-pyrazole
1H-Pyrazole, 3-chloro-1-methyl-4-nitro- | [EINECS(EC#)]
818-990-5 | [Molecular Formula]
C4H4ClN3O2 | [MDL Number]
MFCD00463968 | [MOL File]
299930-70-4.mol | [Molecular Weight]
161.55 |
| Chemical Properties | Back Directory | [Boiling point ]
272.9±20.0 °C(Predicted) | [density ]
1.65±0.1 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [pka]
-4.59±0.10(Predicted) | [Appearance]
Light yellow to yellow Solid |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 3-chloro-1-methyl-4-nitro-1H-pyrazole from 3-chloro-1-methyl-1H-pyrazole: 3-chloro-1-methyl-1H-pyrazole (4.0 g, 34 mmol) was dissolved in concentrated hydrochloric acid and stirred. Fuming nitric acid (3.6 g, 120.0 mmol) was slowly added dropwise to sulfuric acid (4.0 mL) at 0 °C, followed by continuous stirring of the reaction mixture for 6 h at room temperature. Upon completion of the reaction, the reaction was quenched slowly with ice water, at which time a white solid precipitated. The solid product was collected by filtration and dried under vacuum to give 3-chloro-1-methyl-4-nitro-1H-pyrazole (3.0 g, 54% yield) as a final white solid. The product was characterized by 1H NMR (400 MHz, CDCl3): δ 8.16 (s, 1H), 3.94 (s, 3H). | [References]
[1] Patent: WO2010/139731, 2010, A1. Location in patent: Page/Page column 98
[2] Patent: WO2015/25197, 2015, A1. Location in patent: Paragraph 000130 |
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