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CS-W001157 4
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5-(Chlorosulfonyl)-2-fluorobenzoic acid

  • CAS No. 37098-75-2

  • Cat. No. CS-B0676
  • Purity≥97%
  • MDL No.MFCD03030335

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

5-(Chlorosulfonyl)-2-fluorobenzoic acid|CS-B0676

Structure of 37098-75-2

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General Information

  • CAS No. 37098-75-2
  • Cat. No. CS-B0676
  • Purity ≥97%
  • MDL No. MFCD03030335
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClFO₄S
  • Molecular Weight 238.62
  • Synonym(s) 5-(Chlorosulphonyl)-2-fluorobenzoic acid
  • SMILES O=C(O)C1=CC(S(=O)(Cl)=O)=CC=C1F

Description

5-(Chlorosulfonyl)-2-fluorobenzoic acid features a strategically positioned chlorosulfonyl group flanked by a fluorine substituent and carboxylic acid functionality, enabling direct conjugation in synthetic transformations. This arrangement supports efficient derivatization under mild conditions, particularly valuable for probe design and bioconjugation workflows requiring selective reactivity.

Application

5-(Chlorosulfonyl)-2-fluorobenzoic acid serves as a versatile bifunctional building block for the synthesis of sulfonamide-containing heterocycles and bioactive molecules. The chlorosulfonyl group enables efficient nucleophilic substitution with amines to form sulfonamides, while the carboxylic acid facilitates coupling reactions via standard amide bond formation. Its bench-stable nature and orthogonal reactivity profile make it ideal for multi-step synthetic sequences in medicinal chemistry and API development.

Synthesis

  • Route1

    References

    • Pfizer Inc. Patent: US6207829 B1, 2001 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P280-P301+P330+P331-P302+P352-P304+P340

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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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