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CS-W001157 4
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4-Fluoro-1H-indole-3-carbonitrile

  • CAS No. 1260759-82-7

  • Cat. No. CS-0187007
  • Purity≥96%
  • MDL No.None

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

4-Fluoro-1H-indole-3-carbonitrile|CS-0187007

Structure of 1260759-82-7

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General Information

  • CAS No. 1260759-82-7
  • Cat. No. CS-0187007
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅FN₂
  • Molecular Weight 160.15
  • Synonym(s) None
  • SMILES C1=CC(=C2C(=CNC2=C1)C#N)F

Description

4-Fluoro-1H-indole-3-carbonitrile features a fluorinated indole core with a nitrile group at the 3-position, enabling integration into diverse heterocyclic architectures. The electron-deficient carbonitrile and ortho-fluorine substitution enhance reactivity in cross-coupling processes and facilitate incorporation into bioactive scaffolds requiring precise electronic tuning.

Application

4-Fluoro-1H-indole-3-carbonitrile serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C3 position via nucleophilic substitution or transition-metal-catalyzed coupling. The nitrile group offers synthetic handle for amidation or reduction, while the fluorine substituent enhances metabolic stability and modulates electronic properties. Its bench-stable crystalline form facilitates handling and purification in multi-step synthesis.

Safety Information

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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   39.58
  • LogP   2.17868
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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