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CS-W001157 4
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5-Fluorobenzofuran-6-carbonitrile

  • CAS No. 1427324-78-4

  • Cat. No. CS-0654668
  • Purity≥97%
  • MDL No.None

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

5-Fluorobenzofuran-6-carbonitrile|CS-0654668

Structure of 1427324-78-4

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General Information

  • CAS No. 1427324-78-4
  • Cat. No. CS-0654668
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₄FNO
  • Molecular Weight 161.13
  • Synonym(s) None
  • SMILES C1=COC2=CC(=C(C=C21)F)C#N

Description

5-Fluorobenzofuran-6-carbonitrile features a fluorinated benzofuran core with a nitrile group at the 6-position, enabling integration into diverse heterocyclic architectures. This electron-deficient scaffold supports efficient coupling reactions and serves as a key building block in medicinal chemistry and materials science.

Application

5-Fluorobenzofuran-6-carbonitrile serves as a versatile building block for the synthesis of fluorinated heterocyclic scaffolds. The nitrile group enables diverse transformations including hydrolysis to carboxylic acids, reduction to aldehydes or amines, and participation in cycloaddition reactions. Its benzofuran core provides structural rigidity and enhanced metabolic stability, making it valuable in medicinal chemistry lead optimization. Bench-stable and readily purified by recrystallization, it functions effectively in standard coupling protocols and transition-metal-catalyzed transformations.

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+H312+H332-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   36.93
  • LogP   2.44358
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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