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CAS 161622-06-6

:

3-Chloro-4-(1-methylethyl)benzoic acid

Description:
3-Chloro-4-(1-methylethyl)benzoic acid, with the CAS number 161622-06-6, is an aromatic carboxylic acid characterized by the presence of a chloro substituent and an isopropyl group on the benzene ring. This compound features a chlorine atom at the meta position relative to the carboxylic acid group and an isopropyl group at the para position. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents while being less soluble in water due to its hydrophobic isopropyl group. The presence of the carboxylic acid functional group imparts acidic properties, allowing it to participate in various chemical reactions, such as esterification and amidation. Additionally, the chlorine atom can influence the compound's reactivity and polarity, making it useful in synthetic organic chemistry. Its structural characteristics suggest potential applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. Safety data should be consulted for handling and storage, as with any chemical substance.
Formula:C10H11ClO2
InChI:InChI=1S/C10H11ClO2/c1-6(2)8-4-3-7(10(12)13)5-9(8)11/h3-6H,1-2H3,(H,12,13)
InChI key:InChIKey=QQTIONOTZKDOIE-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=CC(Cl)=C(C(C)C)C=C1
Synonyms:
  • 3-Chloro-4-(1-methylethyl)benzoic acid
  • 3-Chloro-4-isopropylbenzoic acid
  • 3-Chloro-4-(propan-2-yl)benzoic acid
  • Benzoic acid, 3-chloro-4-(1-methylethyl)-
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