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CS-W001157 4
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3-Chlorosulfonyl-4-fluorobenzoic acid

  • CAS No. 2267-40-5

  • Cat. No. CS-0038682
  • Molecule weight238.62
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

3-Chlorosulfonyl-4-fluorobenzoic acid|CS-0038682

Structure of 2267-40-5

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General Information

  • CAS No. 2267-40-5
  • Cat. No. CS-0038682
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClFO₄S
  • Molecular Weight 238.62
  • Synonym(s) WSGR BF EVQ [WLN]
  • SMILES C1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)F

Description

3-Chlorosulfonyl-4-fluorobenzoic acid features a strategically positioned sulfonyl chloride group paired with a fluorinated aromatic ring, enabling selective acylation and conjugation in synthetic workflows. This bench-stable reagent integrates readily into complex molecular architectures under mild conditions.

Application

3-Chlorosulfonyl-4-fluorobenzoic acid serves as a versatile bifunctional building block for the synthesis of sulfonamide-containing pharmaceutical intermediates and functionalized heterocycles. The chlorosulfonyl group enables efficient coupling with amines to form sulfonamides, while the carboxylic acid facilitates amide formation or esterification. Its ortho-fluoro substituent enhances electrophilicity and provides a handle for further functionalization via nucleophilic aromatic substitution. The compound exhibits good bench stability and is compatible with standard purification protocols, making it well-suited for iterative synthetic sequences in medicinal chemistry and process development.

Synthesis

  • Route1

    References

    • Kudos Pharmaceuticals Ltd Patent: US2004/2492 A1, 2004 ; Location in patent: Page/Page column 48-49 ; US 20040002492 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   71.44
  • LogP   1.4514
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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