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CS-W001157 4
Total: USD 88.00

5-Fluoro-2-formylbenzonitrile

  • CAS No. 77532-90-2

  • Cat. No. CS-0045055
  • Purity≥97%
  • MDL No.MFCD08275455

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

5-Fluoro-2-formylbenzonitrile|CS-0045055

Structure of 77532-90-2

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General Information

  • CAS No. 77532-90-2
  • Cat. No. CS-0045055
  • Purity ≥97%
  • MDL No. MFCD08275455
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄FNO
  • Molecular Weight 149.12
  • Synonym(s) benzonitrile, 5-fluoro-2-formyl-
  • SMILES N#CC1=CC(F)=CC=C1C=O

Description

5-Fluoro-2-formylbenzonitrile features a trifunctional core integrating electron-deficient aromaticity, a formyl group for nucleophilic addition, and a nitrile moiety enabling conjugate additions. This ortho-configured scaffold supports efficient coupling in heterocycle synthesis and serves as a key intermediate in pharmaceutical discovery workflows.

Application

5-Fluoro-2-formylbenzonitrile serves as a versatile building block for heterocyclic synthesis, enabling efficient access to bioactive scaffolds via formylation and cyclization reactions. Its orthogonal functionality—reactive aldehyde and nitrile groups—facilitates sequential transformations under mild conditions. Bench-stable and readily purified by crystallization, it supports scalable synthesis in medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • 2-(Dibromomethyl)-5-fluorobenzonitrile|CS-1007534
      77532-85-5
    • ~93%
    • In-stock
      5-Fluoro-2-formylbenzonitrile|CS-0045055
      77532-90-2

    References

    • Sun, Caiyun; Xu, Bin Journal of Organic Chemistry, 2008 , vol. 73, # 18 p. 7361 - 7364

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   1.50988
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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