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CAS 59815-29-1

:

3-(chlorosulfonyl)-4-(propan-2-yl)benzoic acid

Description:
3-(Chlorosulfonyl)-4-(propan-2-yl)benzoic acid, with the CAS number 59815-29-1, is an organic compound characterized by the presence of a benzoic acid moiety substituted with both a chlorosulfonyl group and an isopropyl group. The chlorosulfonyl group (-SO2Cl) is a strong electrophile, making this compound reactive in various chemical reactions, particularly in nucleophilic substitutions. The isopropyl group contributes to the hydrophobic character of the molecule, influencing its solubility and reactivity. This compound is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its properties include being a solid at room temperature, with potential applications in the development of sulfonamide derivatives. Safety precautions should be taken when handling this compound due to the presence of the chlorosulfonyl group, which can be hazardous. Overall, 3-(chlorosulfonyl)-4-(propan-2-yl)benzoic acid is a versatile compound in synthetic organic chemistry.
Formula:C10H11ClO4S
InChI:InChI=1/C10H11ClO4S/c1-6(2)8-4-3-7(10(12)13)5-9(8)16(11,14)15/h3-6H,1-2H3,(H,12,13)
SMILES:CC(C)c1ccc(cc1S(=O)(=O)Cl)C(=O)O
Synonyms:
  • 3-(Chlorosulfonyl)-4-isopropylbenzoic acid
  • Benzoic acid, 3-(chlorosulfonyl)-4-(1-methylethyl)-
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