CAS 1260658-93-2

1-Ethyl-4-nitro-1H-pyrazole-3-carbonyl chloride

Description:

1-Ethyl-4-nitro-1H-pyrazole-3-carbonyl chloride is a chemical compound characterized by its unique structure, which includes a pyrazole ring substituted with an ethyl group and a nitro group, along with a carbonyl chloride functional group. This compound is typically used in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals or agrochemicals. The presence of the carbonyl chloride group indicates that it is reactive, particularly towards nucleophiles, making it useful in further chemical transformations. The nitro group contributes to its electronic properties, potentially influencing its reactivity and stability. Additionally, the compound may exhibit specific physical properties such as solubility in organic solvents and a distinct melting or boiling point, which are important for its handling and application in laboratory settings. Safety precautions should be taken when working with this compound, as carbonyl chlorides can be hazardous, and proper storage conditions are essential to maintain its integrity.

Formula: C₆H₆ClN₃O₃

InChI: InChI=1S/C6H6ClN3O3/c1-2-9-3-4(10(12)13)5(8-9)6(7)11/h3H,2H2,1H3

InChI key: InChIKey=LJLPOLASQPARAW-UHFFFAOYSA-N

SMILES: N(=O)(=O)C=1C(C(Cl)=O)=NN(CC)C1

Synonyms:

• 1-Ethyl-4-nitro-1H-pyrazole-3-carbonyl chloride
• 1H-Pyrazole-3-carbonyl chloride, 1-ethyl-4-nitro-