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CAS 78208-74-9

:

1-Methyl-3-(1-methylethyl)-4-nitro-1H-pyrazole-5-carboxylic acid

Description:
1-Methyl-3-(1-methylethyl)-4-nitro-1H-pyrazole-5-carboxylic acid, identified by its CAS number 78208-74-9, is a chemical compound that belongs to the class of pyrazole derivatives. This substance features a pyrazole ring, which is a five-membered ring containing two nitrogen atoms, and is substituted with a methyl group, an isopropyl group, and a nitro group, as well as a carboxylic acid functional group. The presence of the nitro group typically imparts significant reactivity and can influence the compound's biological activity. The carboxylic acid group contributes to its acidity and potential solubility in polar solvents. This compound may exhibit various properties such as being a potential herbicide or fungicide, depending on its biological activity, which is often evaluated in agricultural chemistry. Its structural characteristics suggest it may participate in various chemical reactions, making it of interest in synthetic organic chemistry and potentially in medicinal chemistry as well.
Formula:C8H11N3O4
InChI:InChI=1S/C8H11N3O4/c1-4(2)5-6(11(14)15)7(8(12)13)10(3)9-5/h4H,1-3H3,(H,12,13)
InChI key:InChIKey=XHKULFSSKNIRKB-UHFFFAOYSA-N
SMILES:N(=O)(=O)C=1C(C(C)C)=NN(C)C1C(O)=O
Synonyms:
  • 3-Isopropyl-1-methyl-4-nitro-1H-pyrazole-5-carboxylic acid
  • 1-Methyl-3-(1-methylethyl)-4-nitro-1H-pyrazole-5-carboxylic acid
  • 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-(1-methylethyl)-4-nitro-
  • 1-Methyl-4-nitro-3-(propan-2-yl)-1H-pyrazole-5-carboxylic acid
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