CAS 937040-35-2

1-(2-Chloro-4-nitrophenyl)-3-(1,3-dioxan-2-yl)-1-propanone

Description:

1-(2-Chloro-4-nitrophenyl)-3-(1,3-dioxan-2-yl)-1-propanone, identified by its CAS number 937040-35-2, is a synthetic organic compound characterized by its complex molecular structure. It features a propanone backbone substituted with a 2-chloro-4-nitrophenyl group and a 1,3-dioxane moiety, which contributes to its unique chemical properties. The presence of the nitro group indicates potential for electrophilic reactivity, while the chloro substituent may influence its solubility and reactivity in various chemical environments. The dioxane ring adds to the compound's stability and may affect its interaction with biological systems. This compound is likely to exhibit moderate polarity due to the combination of polar and nonpolar functional groups, which can influence its solubility in organic solvents and water. Its potential applications could span across pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis, although specific uses would depend on further research into its biological activity and reactivity.

Formula: C₁₃H₁₄ClNO₅

InChI: InChI=1S/C13H14ClNO5/c14-11-8-9(15(17)18)2-3-10(11)12(16)4-5-13-19-6-1-7-20-13/h2-3,8,13H,1,4-7H2

InChI key: InChIKey=KHQWVKLBZFLCEV-UHFFFAOYSA-N

SMILES: C(CCC1OCCCO1)(=O)C2=C(Cl)C=C(N(=O)=O)C=C2

Synonyms:

• 1-(2-Chloro-4-nitrophenyl)-3-(1,3-dioxan-2-yl)-1-propanone
• 2′-Chloro-3-(1,3-dioxan-2-yl)-4′-nitropropiophenone
• 1-Propanone, 1-(2-chloro-4-nitrophenyl)-3-(1,3-dioxan-2-yl)-