CAS 78096-13-6

3-(3-chloro-2-methyl-anilino)-3-oxo-propanoic acid

Description:

3-(3-Chloro-2-methyl-anilino)-3-oxo-propanoic acid, with the CAS number 78096-13-6, is an organic compound characterized by its complex structure, which includes an aniline derivative and a keto acid functional group. This compound features a chloro substituent on the aromatic ring, which can influence its reactivity and solubility. The presence of the oxo group (carbonyl) and the carboxylic acid functional group contributes to its acidic properties, making it potentially useful in various chemical reactions, including those involving nucleophilic attacks or esterification. The compound's molecular structure suggests it may exhibit biological activity, possibly serving as an intermediate in the synthesis of pharmaceuticals or agrochemicals. Its solubility in polar solvents is likely due to the carboxylic acid group, while the aromatic ring may provide hydrophobic characteristics. Safety and handling precautions should be observed, as with many organic compounds, due to potential toxicity or reactivity. Further studies would be necessary to fully elucidate its properties and applications in various fields.

Formula: C₁₀H₁₀ClNO₃

InChI: InChI=1/C10H10ClNO3/c1-6-7(11)3-2-4-8(6)12-9(13)5-10(14)15/h2-4H,5H2,1H3,(H,12,13)(H,14,15)

SMILES: Cc1c(cccc1N=C(CC(=O)O)O)Cl

3-[(3-chloro-2-methylphenyl)amino]-3-oxopropanoic acid

CAS: 78096-13-6

Formula: C₁₀H₁₀ClNO₃

Molecular weight: 227.6443

Ref: IN-DA008NIY