CAS 1026566-04-0

2-Chloro-3-ethoxy-6-nitrobenzonitrile

Description:

2-Chloro-3-ethoxy-6-nitrobenzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a chloro group, an ethoxy group, and a nitro group, along with a nitrile functional group. The presence of the chloro and nitro substituents indicates that the compound may exhibit significant reactivity, particularly in electrophilic aromatic substitution reactions. The ethoxy group contributes to the compound's solubility in organic solvents and may influence its electronic properties. This compound is likely to be a pale yellow to light brown solid, depending on its purity and crystalline form. Its molecular structure suggests potential applications in pharmaceuticals or agrochemicals, where such functional groups can enhance biological activity or serve as intermediates in synthetic pathways. Safety data should be consulted, as compounds with nitro and chloro groups can pose health risks and environmental concerns. Proper handling and storage conditions are essential to ensure safety during use.

Formula: C₉H₇ClN₂O₃

InChI: InChI=1S/C9H7ClN2O3/c1-2-15-8-4-3-7(12(13)14)6(5-11)9(8)10/h3-4H,2H2,1H3

InChI key: InChIKey=HXHPUYJDSCJEMR-UHFFFAOYSA-N

SMILES: C(#N)C1=C(N(=O)=O)C=CC(OCC)=C1Cl

Synonyms:

• Benzonitrile, 2-chloro-3-ethoxy-6-nitro-
• 2-Chloro-3-ethoxy-6-nitrobenzonitrile