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CS-W001157 4
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2-Chloro-4-fluorobenzenethiol

  • CAS No. 175277-99-3

  • Cat. No. CS-0037011
  • Purity≥96%
  • MDL No.MFCD00052936

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

2-Chloro-4-fluorobenzenethiol|CS-0037011

Structure of 175277-99-3

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General Information

  • CAS No. 175277-99-3
  • Cat. No. CS-0037011
  • Purity ≥96%
  • MDL No. MFCD00052936
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄ClFS
  • Molecular Weight None
  • Synonym(s) Benzenethiol, 2-chloro-4-fluoro-
  • SMILES C1=CC(=C(C=C1F)Cl)S

Description

2-Chloro-4-fluorobenzenethiol features a strategically positioned thiol group flanked by electron-withdrawing chlorine and fluorine substituents, enhancing its reactivity in nucleophilic substitution and conjugate addition processes. This bench-stable arylthiol integrates readily into functionalized intermediates for pharmaceutical and agrochemical synthesis.

Application

2-Chloro-4-fluorobenzenethiol serves as a valuable building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ortho-chloro and meta-fluoro substituents provide enhanced reactivity in palladium-catalyzed coupling reactions, while the thiol group enables selective conjugation and metal coordination. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic sequences in medicinal chemistry and process development.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.7678
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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