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CAS 5613-27-4

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5-Bromo-2,3-dimethylbenzoic acid

Description:
5-Bromo-2,3-dimethylbenzoic acid is an aromatic carboxylic acid characterized by the presence of a bromine atom and two methyl groups on a benzoic acid framework. The molecular structure features a benzene ring substituted at the 5-position with a bromine atom and at the 2- and 3-positions with methyl groups, contributing to its unique chemical properties. This compound typically appears as a white to off-white solid and is soluble in organic solvents, with limited solubility in water due to its hydrophobic methyl groups. It exhibits acidic properties due to the carboxylic acid functional group, allowing it to participate in various chemical reactions, such as esterification and nucleophilic substitution. The presence of the bromine atom can also enhance its reactivity in electrophilic aromatic substitution reactions. 5-Bromo-2,3-dimethylbenzoic acid is utilized in organic synthesis and may serve as an intermediate in the production of pharmaceuticals, agrochemicals, and other fine chemicals. Safety data should be consulted for handling and storage, as with any chemical substance.
Formula:C9H9BrO2
InChI:InChI=1S/C9H9BrO2/c1-5-3-7(10)4-8(6(5)2)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI key:InChIKey=ZCZLDHYJFFDDOE-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(C)C(C)=CC(Br)=C1
Synonyms:
  • Benzoic acid, 5-bromo-2,3-dimethyl-
  • 5-Bromo-2,3-dimethylbenzoic acid
  • 5-Bromo-2,3-dimethyl-benzoic acid
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