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CAS 313346-23-5

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5-(Chlorosulfonyl)-2,4-dimethylbenzoic acid

Description:
5-(Chlorosulfonyl)-2,4-dimethylbenzoic acid is an organic compound characterized by the presence of a benzoic acid structure substituted with both chlorosulfonyl and methyl groups. The chlorosulfonyl group (-SO2Cl) is a strong electrophile, making this compound reactive in various chemical reactions, particularly in nucleophilic substitution and coupling reactions. The two methyl groups at the 2 and 4 positions of the benzene ring contribute to the compound's hydrophobic character and influence its solubility in organic solvents. This compound is typically used in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to its ability to introduce sulfonyl functionalities into other molecules. Additionally, the presence of the carboxylic acid group (-COOH) allows for potential interactions in biological systems, making it of interest in medicinal chemistry. Safety precautions should be taken when handling this compound, as it may pose hazards due to its reactive nature and potential toxicity.
Formula:C9H9ClO4S
InChI:InChI=1S/C9H9ClO4S/c1-5-3-6(2)8(15(10,13)14)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI key:InChIKey=FFRJDYMIRFLOCU-UHFFFAOYSA-N
SMILES:S(Cl)(=O)(=O)C1=CC(C(O)=O)=C(C)C=C1C
Synonyms:
  • Benzoic acid, 5-(chlorosulfonyl)-2,4-dimethyl-
  • 5-(Chlorosulfonyl)-2,4-dimethylbenzoic acid
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