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CAS 1245772-57-9

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1-Methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole

Description:
1-Methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole is an organic compound characterized by its pyrazole ring, which is a five-membered aromatic heterocycle containing two nitrogen atoms. The presence of a methyl group at the 1-position and a nitro group at the 4-position contributes to its reactivity and potential applications in various chemical reactions. The trifluoromethyl group at the 3-position enhances the compound's lipophilicity and may influence its biological activity, making it of interest in medicinal chemistry. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its unique combination of functional groups suggests potential utility in agrochemicals, pharmaceuticals, or as a building block in organic synthesis. Safety data should be consulted for handling, as nitro compounds can be sensitive and may pose health risks. Overall, 1-Methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole represents a versatile structure in the realm of synthetic organic chemistry.
Formula:C5H4F3N3O2
InChI:InChI=1S/C5H4F3N3O2/c1-10-2-3(11(12)13)4(9-10)5(6,7)8/h2H,1H3
InChI key:InChIKey=CPAWJRRAMLWWHW-UHFFFAOYSA-N
SMILES:N(=O)(=O)C=1C(C(F)(F)F)=NN(C)C1
Synonyms:
  • 1H-Pyrazole, 1-methyl-4-nitro-3-(trifluoromethyl)-
  • 1-Methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole
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