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CS-W001157 4
Total: USD 88.00

4-Chloroquinoline-3-carbonitrile

  • CAS No. 69875-49-6

  • Cat. No. CS-0001132
  • Purity≥97%
  • MDL No.MFCD03093327

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

4-Chloroquinoline-3-carbonitrile|CS-0001132

Structure of 69875-49-6

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General Information

  • CAS No. 69875-49-6
  • Cat. No. CS-0001132
  • Purity ≥97%
  • MDL No. MFCD03093327
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₅ClN₂
  • Molecular Weight 188.61
  • Synonym(s) None
  • SMILES N#CC1=C(Cl)C2=CC=CC=C2N=C1

Description

4-Chloroquinoline-3-carbonitrile features a chlorine atom at the 4-position and a nitrile group at the 3-position of the quinoline core, delivering enhanced electron-withdrawing character and improved solubility in organic solvents. This scaffold integrates readily into pharmaceutical intermediates and functional materials due to its stability under standard conditions and compatibility with diverse coupling reactions.

Application

4-Chloroquinoline-3-carbonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal reactivity profile. The chlorine and nitrile groups provide distinct handles for further functionalization, while the quinoline core offers inherent stability and favorable pharmacophoric properties. Its bench-stable nature and compatibility with diverse reaction conditions make it well-suited for modular synthesis of heterocyclic scaffolds and API intermediates.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   2.75988
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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