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CS-W001157 4
Total: USD 88.00

3-Cyano-4-fluorobenzenesulfonyl chloride

  • CAS No. 351003-23-1

  • Cat. No. CS-0046147
  • Purity≥95%
  • MDL No.MFCD03093760

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

3-Cyano-4-fluorobenzenesulfonyl chloride|CS-0046147

Structure of 351003-23-1

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General Information

  • CAS No. 351003-23-1
  • Cat. No. CS-0046147
  • Purity ≥95%
  • MDL No. MFCD03093760
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃ClFNO₂S
  • Molecular Weight 219.62
  • Synonym(s) 5-(Chlorosulphonyl)-2-fluorobenzonitrile
  • SMILES O=S(C1=CC=C(F)C(C#N)=C1)(Cl)=O

Description

3-Cyano-4-fluorobenzenesulfonyl chloride features a dual functional group architecture: a sulfonyl chloride for nucleophilic substitution and a para-fluoro-cyano motif that imparts electron-withdrawing character. This combination enables efficient coupling in synthesis of fluorinated sulfonamide derivatives, particularly valuable in medicinal chemistry and agrochemical development. The compound exhibits enhanced reactivity under standard conditions with minimal hydrolysis, facilitating clean derivatization in polar solvents.

Application

3-Cyano-4-fluorobenzenesulfonyl chloride serves as a versatile building block for sulfonamide synthesis, enabling efficient introduction of electron-withdrawing cyano and fluoro substituents in close proximity. Its reactivity facilitates direct coupling with amines under mild conditions, offering high functional group tolerance and ease of purification. The compound exhibits bench stability and is well-suited for the construction of complex heterocyclic scaffolds and bioactive intermediates in medicinal chemistry workflows.

Safety Information

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

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Computational Chemistry Data

  • TPSA   57.93
  • LogP   1.62488
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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