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CS-W001157 4
Total: USD 88.00

2-Chloro-5-cyanobenzene-1-sulfonyl chloride

  • CAS No. 942199-56-6

  • Cat. No. CS-W018977
  • Purity≥95%
  • MDL No.MFCD18392427

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

2-Chloro-5-cyanobenzene-1-sulfonyl chloride|CS-W018977

Structure of 942199-56-6

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General Information

  • CAS No. 942199-56-6
  • Cat. No. CS-W018977
  • Purity ≥95%
  • MDL No. MFCD18392427
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃Cl₂NO₂S
  • Molecular Weight 236.08
  • Synonym(s) 2-Chloro-5-Cyanobenzenesulfonyl Chloride
  • SMILES O=S(C1=CC(C#N)=CC=C1Cl)(Cl)=O

Description

2-Chloro-5-cyanobenzene-1-sulfonyl chloride features a strategically positioned sulfonyl chloride group flanked by electron-withdrawing chlorine and cyano substituents, enabling selective conjugate addition reactions. This combination enhances electrophilicity while maintaining stability under standard bench conditions. The molecule integrates readily into complex heterocyclic scaffolds and serves as a key intermediate in the synthesis of functionalized aromatic systems for pharmaceutical and agrochemical applications.

Application

2-Chloro-5-cyanobenzene-1-sulfonyl chloride serves as a versatile building block for sulfonamide-based scaffolds in medicinal chemistry. Its reactivity enables efficient coupling with amines under mild conditions, facilitating rapid access to functionalized aryl sulfonamides. The molecule exhibits good bench stability and tolerates common functional groups, supporting its use in multi-step syntheses and API development workflows.

Safety Information

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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-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   57.93
  • LogP   2.13918
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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