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CAS 845790-51-4

:

4-Chloro-3-methyl-δ-oxobenzenepentanoic acid

Description:
4-Chloro-3-methyl-δ-oxobenzenepentanoic acid, identified by its CAS number 845790-51-4, is a chemical compound that features a chlorinated aromatic ring and a pentanoic acid side chain. The presence of the chloro group and the methyl group on the benzene ring contributes to its unique reactivity and physical properties. This compound is characterized by its potential as an intermediate in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals. The δ-oxobenzenepentanoic acid structure indicates the presence of a ketone functional group adjacent to the carboxylic acid, which can influence its acidity and reactivity. The compound's solubility, stability, and interaction with biological systems can vary based on its molecular structure, making it of interest in various fields, including medicinal chemistry and materials science. Safety and handling precautions should be observed due to the presence of the chlorine atom, which can impart toxicity or environmental concerns. Overall, this compound exemplifies the complexity and utility of substituted aromatic acids in chemical research and application.
Formula:C12H13ClO3
InChI:InChI=1S/C12H13ClO3/c1-8-7-9(5-6-10(8)13)11(14)3-2-4-12(15)16/h5-7H,2-4H2,1H3,(H,15,16)
InChI key:InChIKey=RTMFPIZZDYOKFI-UHFFFAOYSA-N
SMILES:C(CCCC(O)=O)(=O)C1=CC(C)=C(Cl)C=C1
Synonyms:
  • 4-Chloro-3-methyl-δ-oxobenzenepentanoic acid
  • Benzenepentanoic acid, 4-chloro-3-methyl-delta-oxo-
  • Benzenepentanoic acid, 4-chloro-3-methyl-δ-oxo-
  • 5-(4-Chloro-3-methylphenyl)-5-oxopentanoic acid
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