CAS 844-24-6

4-Chloro-α-[2-chloro-4-(hydroxyimino)-5-methyl-2,5-cyclohexadien-1-ylidene]benzeneacetonitrile

Description:

4-Chloro-α-[2-chloro-4-(hydroxyimino)-5-methyl-2,5-cyclohexadien-1-ylidene]benzeneacetonitrile, with CAS number 844-24-6, is a chemical compound that features a complex structure characterized by multiple functional groups. It contains a chloro substituent, a hydroxyimino group, and a nitrile group, which contribute to its reactivity and potential applications in organic synthesis and medicinal chemistry. The presence of the cyclohexadiene moiety suggests that it may exhibit unique electronic properties, potentially influencing its behavior in chemical reactions. This compound is likely to be a solid at room temperature, with moderate solubility in organic solvents due to its polar functional groups. Its structure may allow for interactions with biological targets, making it of interest in pharmaceutical research. As with many organic compounds, safety precautions should be taken when handling it, as it may pose health risks or environmental hazards. Further studies would be necessary to fully elucidate its properties and potential applications.

Formula: C₁₅H₁₀Cl₂N₂O

InChI: InChI=1S/C15H10Cl2N2O/c1-9-6-12(14(17)7-15(9)19-20)13(8-18)10-2-4-11(16)5-3-10/h2-7,20H,1H3

InChI key: InChIKey=BYRQMRDYXFADRJ-UHFFFAOYSA-N

SMILES: C(C#N)(=C1C(Cl)=CC(=NO)C(C)=C1)C2=CC=C(Cl)C=C2

Synonyms:

• Benzeneacetonitrile, 4-chloro-α-[2-chloro-4-(hydroxyimino)-5-methyl-2,5-cyclohexadien-1-ylidene]-
• 2,5-Cyclohexadiene-Δ1,α-acetonitrile, 2-chloro-α-(p-chlorophenyl)-5-methyl-4-oxo-, oxime
• 4-Chloro-α-[2-chloro-4-(hydroxyimino)-5-methyl-2,5-cyclohexadien-1-ylidene]benzeneacetonitrile