CAS 1002535-22-9

Methyl 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoate

Description:

Methyl 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoate is an organic compound characterized by its complex structure, which includes a benzoate moiety and a pyrazole ring. The presence of a chloro and nitro group on the pyrazole ring contributes to its reactivity and potential biological activity. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, depending on the specific conditions. Its molecular structure suggests potential applications in pharmaceuticals or agrochemicals, particularly due to the presence of the pyrazole ring, which is known for its diverse biological properties. The compound's reactivity can be influenced by the electron-withdrawing effects of the chloro and nitro substituents, which may affect its interaction with biological targets. Safety data and handling precautions should be considered, as compounds with halogen and nitro groups can pose health and environmental risks. Overall, Methyl 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoate represents a class of compounds with significant potential for further research and application.

Formula: C₁₂H₁₀ClN₃O₄

InChI: InChI=1S/C12H10ClN3O4/c1-20-12(17)9-4-2-3-8(5-9)6-15-7-10(13)11(14-15)16(18)19/h2-5,7H,6H2,1H3

InChI key: InChIKey=BAAFVWNLIUBTNG-UHFFFAOYSA-N

SMILES: C(N1N=C(N(=O)=O)C(Cl)=C1)C2=CC(C(OC)=O)=CC=C2

Synonyms:

• Benzoic acid, 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-, methyl ester
• Methyl 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoate