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CS-W001157 4
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4-Fluoro-3-formylbenzonitrile

  • CAS No. 146137-79-3

  • Cat. No. CS-W018753
  • Purity≥96%
  • MDL No.MFCD04974126

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

4-Fluoro-3-formylbenzonitrile|CS-W018753

Structure of 146137-79-3

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General Information

  • CAS No. 146137-79-3
  • Cat. No. CS-W018753
  • Purity ≥96%
  • MDL No. MFCD04974126
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄FNO
  • Molecular Weight 149.12
  • Synonym(s) 5-Cyano-2-fluorobenzaldehyde
  • SMILES FC1=C(C=C(C#N)C=C1)C=O

Description

4-Fluoro-3-formylbenzonitrile features a trifunctional aromatic core integrating electron-withdrawing fluorine, formyl, and nitrile groups. This arrangement enables direct incorporation into diverse synthetic scaffolds, particularly in medicinal chemistry and materials science. The molecule exhibits enhanced stability under standard conditions and facilitates efficient coupling reactions due to its well-defined polarity and reactivity profile.

Application

4-Fluoro-3-formylbenzonitrile serves as a versatile building block in medicinal chemistry, enabling direct incorporation of both formyl and nitrile functionalities into complex scaffolds. Its ortho-fluorine facilitates subsequent nucleophilic aromatic substitution, while the aldehyde group supports reductive amination, hydrazone formation, and oxime derivatization. The molecule exhibits good bench stability and compatibility with standard purification methods, making it well-suited for iterative synthesis and library development.

Synthesis

  • Route1
    • null|null
      1194-02-1
    • ~80%
    • In-stock
      4-Fluoro-3-formylbenzonitrile|CS-W018753
      146137-79-3

    References

    • US6221914 B1, ; US 6221914 B1
  • Route2

    References

    • US6376499 B1, ; US 6376499 B1
  • Route3
    • (T-4)-Tetrakis(triphenylphosphine)palladium, High-purity crystals|CS-1379271
      14221-01-3
    • In-stock
      2-Fluoro-5-bromobenzaldehyde|CS-M3077
      93777-26-5
    • ~%
    • In-stock
      4-Fluoro-3-formylbenzonitrile|CS-W018753
      146137-79-3

    References

    • US6384080 B1, ;

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

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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