CAS 89-27-0

4,5-Dihydro-1-(3-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid

Description:

4,5-Dihydro-1-(3-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid, with the CAS number 89-27-0, is a chemical compound characterized by its pyrazole core structure, which is a five-membered ring containing two nitrogen atoms. This compound features a carboxylic acid functional group, contributing to its acidic properties, and a nitrophenyl substituent that enhances its reactivity and potential applications in various chemical reactions. The presence of the nitro group typically imparts increased polarity and can influence the compound's solubility in polar solvents. Additionally, the diketone functionality within the pyrazole ring may participate in various chemical transformations, making it a versatile intermediate in organic synthesis. Its structural characteristics suggest potential applications in pharmaceuticals, agrochemicals, or as a building block in the synthesis of more complex molecules. As with many organic compounds, handling should be done with care, considering safety data and potential hazards associated with its use.

Formula: C₁₀H₇N₃O₅

InChI: InChI=1S/C10H7N3O5/c14-9-5-8(10(15)16)11-12(9)6-2-1-3-7(4-6)13(17)18/h1-4H,5H2,(H,15,16)

InChI key: InChIKey=KAUQEIRKYADRME-UHFFFAOYSA-N

SMILES: O=C1N(N=C(C(O)=O)C1)C2=CC(N(=O)=O)=CC=C2

Synonyms:

• 1-(m-Nitrophenyl)-5-pyrazolone-3-carboxylic acid
• 2-Pyrazoline-3-carboxylic acid, 1-(m-nitrophenyl)-5-oxo-
• 4,5-Dihydro-1-(3-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid
• 2-Pyrazoline-3-carboxylic acid, 1-(m-nitrophenyl)-5-oxo- (8CI)
• 4,5-Dihydro-1-(3-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid
• 1-(m-Nitrophenyl)-5-oxo-2-pyrazoline-3-carboxylic acid
• 1-(3-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid
• 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo-
• NSC 9585

1H-Pyrazole-3-carboxylicacid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo-

CAS: 89-27-0

Formula: C₁₀H₇N₃O₅

Molecular weight: 249.1797

Ref: IN-DA0041C6