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CAS 15089-74-4

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2-Chloro-4,5-dimethylbenzoic acid

Description:
2-Chloro-4,5-dimethylbenzoic acid is an aromatic carboxylic acid characterized by the presence of a benzoic acid core substituted with a chlorine atom and two methyl groups. The chlorine atom is located at the second position, while the methyl groups are positioned at the fourth and fifth positions on the benzene ring. This compound typically appears as a white to off-white crystalline solid and is sparingly soluble in water but more soluble in organic solvents such as ethanol and acetone. Its molecular structure contributes to its potential applications in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. The presence of the chlorine atom can enhance the compound's reactivity, making it useful in various chemical reactions, including electrophilic aromatic substitution. Additionally, the methyl groups can influence the compound's physical properties, such as melting point and boiling point, as well as its overall stability. Safety precautions should be taken when handling this compound, as it may pose health risks if ingested or inhaled.
Formula:C9H9ClO2
InChI:InChI=1S/C9H9ClO2/c1-5-3-7(9(11)12)8(10)4-6(5)2/h3-4H,1-2H3,(H,11,12)
InChI key:InChIKey=XBZNOTXVXOPTJB-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(Cl)C=C(C)C(C)=C1
Synonyms:
  • 2-Chloro-4,5-dimethylbenzoic acid
  • Benzoic acid, 2-chloro-4,5-dimethyl-
  • NSC 409552
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