CAS 250371-80-3: 1-(2-Fluoro-4-nitrophenyl)hexahydro-1H-azepine

Description: 1-(2-Fluoro-4-nitrophenyl)hexahydro-1H-azepine is a chemical compound characterized by its unique structure, which includes a hexahydro-1H-azepine ring fused with a 2-fluoro-4-nitrophenyl group. This compound features a nitrogen atom within a six-membered saturated ring, contributing to its potential biological activity. The presence of the fluoro and nitro substituents on the phenyl ring can influence its electronic properties, solubility, and reactivity, making it of interest in medicinal chemistry and material science. The fluorine atom often enhances lipophilicity, while the nitro group can serve as a site for further chemical modifications. Additionally, the compound's molecular weight, boiling point, and solubility characteristics would depend on its specific structural features and functional groups. Overall, 1-(2-Fluoro-4-nitrophenyl)hexahydro-1H-azepine represents a versatile scaffold for the development of pharmaceuticals or agrochemicals, warranting further investigation into its potential applications and mechanisms of action.

Formula: C₁₂H₁₅FN₂O₂

InChI: InChI=1S/C12H15FN2O2/c13-11-9-10(15(16)17)5-6-12(11)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2

InChI key: InChIKey=LJVYPBVHNCEVFI-UHFFFAOYSA-N

SMILES: O=N(=O)C1=CC=C(C(F)=C1)N2CCCCCC2

Synonyms:

• 1-(2-Fluoro-4-nitrophenyl)hexahydro-1H-azepine
• 1H-Azepine, 1-(2-fluoro-4-nitrophenyl)hexahydro-
• 1-(2-Fluoro-4-nitrophenyl)azepane

1-(2-FLUORO-4-NITROPHENYL)AZEPANE

CAS: 250371-80-3

• Purity: 97.0%
• Molecular weight: 238.26199340820312

1-(2-Fluoro-4-nitrophenyl)azepane

CAS: 250371-80-3

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• Formula: C₁₂H₁₅FN₂O₂
• Purity: Min. 95%
• Molecular weight: 238.26 g/mol