| Company Name: |
Alfa Aesar |
| Tel: |
400-6106006 |
| Email: |
saleschina@alfa-asia.com |
| Company Name: |
Energy Chemical |
| Tel: |
400-0056266 |
| Email: |
sales8178@energy-chemical.com |
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| | 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE Basic information |
| Product Name: | 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE | | Synonyms: | 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE;1-Methyl-3-trifluoromethyl-1H-pyrazole ,97%;1-Methyl-3-(trifluoroMethyl)pyrazole;1H-Pyrazole, 1-methyl-3-(trifluoromethyl)-;1-methyl-3-trifluoromethylpyrazol | | CAS: | 154471-65-5 | | MF: | C5H5F3N2 | | MW: | 150.1 | | EINECS: | 1312995-182-4 | | Product Categories: | | | Mol File: | 154471-65-5.mol |  |
| | 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE Chemical Properties |
| Boiling point | 137.7±35.0 °C(Predicted) | | density | 1.32g/ml | | storage temp. | 2-8°C | | pka | -0.71±0.10(Predicted) | | Appearance | Colorless to light yellow Liquid | | InChI | InChI=1S/C5H5F3N2/c1-10-3-2-4(9-10)5(6,7)8/h2-3H,1H3 | | InChIKey | MQSLINQSJFALSP-UHFFFAOYSA-N | | SMILES | N1(C)C=CC(C(F)(F)F)=N1 |
| Safety Statements | 22-24/25 | | HS Code | 29331990 |
| | 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE Usage And Synthesis |
| Chemical Properties | Colorless liquid | | Synthesis | (E)-1-ethoxy-3-trifluoromethyl-1,3-butadiene (ETFBO, 270 g, 1.61 mol, 1.00 eq.) was dissolved in methanol (750 mL). The resulting solution was cooled in an ice-water bath, followed by the slow dropwise addition of methylhydrazine (88.3 mL, 77.7 g, 1.69 mol, 1.05 eq.) over 20 min. The reaction mixture was heated to 55 °C and stirred in dry air (via a drying tube) at this temperature for 20 hours. Upon completion of the reaction, the solvent was removed by rotary evaporation and the residue was subjected to decompression distillation: the first fraction was collected at 150 mbar, bath temperature of 130 °C, and collection temperature of 73-85 °C to give 129 g of the mixture of isomers, and the second fraction was collected at 70 mbar, bath temperature of 150 °C, and collection temperature of 75-85 °C to give 24 g of 1 -methyl-3-trifluoromethyl-1H-pyrazole. the total yield was 153 g (1.02 mol), 63% yield. | | References | [1] Patent: EP2662359, 2013, A1. Location in patent: Page/Page column 6; 10 |
| | 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE Preparation Products And Raw materials |
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