| Identification | Back Directory | [Name]
1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE | [CAS]
154471-65-5 | [Synonyms]
1-methyl-3-trifluoromethylpyrazol
1-Methyl-3-(trifluoroMethyl)pyrazole
1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE
1H-Pyrazole, 1-methyl-3-(trifluoromethyl)-
1-Methyl-3-trifluoromethyl-1H-pyrazole ,97% | [EINECS(EC#)]
1312995-182-4 | [Molecular Formula]
C5H5F3N2 | [MDL Number]
MFCD00179867 | [MOL File]
154471-65-5.mol | [Molecular Weight]
150.1 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [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 |
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