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CS-W001157 4
Total: USD 88.00

3-Chloro-4-(fluorosulfonyl)benzoic acid

  • CAS No. 33866-05-6

  • Cat. No. CS-0654809
  • Purity≥95%
  • MDL No.None

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

3-Chloro-4-(fluorosulfonyl)benzoic acid|CS-0654809

Structure of 33866-05-6

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General Information

  • CAS No. 33866-05-6
  • Cat. No. CS-0654809
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClFO₄S
  • Molecular Weight 238.62
  • Synonym(s) None
  • SMILES C1=CC(=C(C=C1C(=O)O)Cl)S(=O)(=O)F

Description

3-Chloro-4-(fluorosulfonyl)benzoic acid features a fluorosulfonyl group that enhances electrophilicity for efficient coupling reactions. This bench-stable, moisture-tolerant reagent integrates readily into synthetic workflows requiring sulfonate functionality. The para-chloro substitution provides steric and electronic control during derivatization.

Application

3-Chloro-4-(fluorosulfonyl)benzoic acid serves as a versatile building block for constructing sulfonamide-containing heterocycles and bioactive scaffolds. The fluorosulfonyl group enables efficient displacement reactions, while the carboxylic acid facilitates amide coupling or salt formation. Its bench-stable nature and compatibility with diverse functional groups make it well-suited for medicinal chemistry and process development workflows.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314-H335
Precautionary Statements : P260-P264-P271-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   71.44
  • LogP   1.6964
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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