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CS-W001157 4
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3-Cyanobenzaldehyde

  • CAS No. 24964-64-5

  • Cat. No. CS-W007808
  • Molecule weight131.13
  • Purity≥98%
  • MDL No.MFCD00003344

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

3-Cyanobenzaldehyde|CS-W007808

Structure of 24964-64-5

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General Information

  • CAS No. 24964-64-5
  • Cat. No. CS-W007808
  • Purity ≥98%
  • MDL No. MFCD00003344
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅NO
  • Molecular Weight 131.13
  • Synonym(s) None
  • SMILES C1=CC(=CC(=C1)C=O)C#N

Description

3-Formylbenzonitrile was used in the synthesis of 3-(6,6-dimethyl-5,6-dihydro-4H-benzo[7,8]chromeno[6,5-d]oxazol-2-yl)benzonitrile.

Application

3-Cyanobenzaldehyde serves as a versatile building block in synthetic organic chemistry, enabling efficient access to heterocyclic scaffolds and functionalized aromatics. Its dual functionality—cyano and aldehyde groups—supports diverse transformations including nucleophilic additions, condensations, and transition-metal-catalyzed coupling reactions. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for use in medicinal chemistry campaigns and process development workflows.

Synthesis

  • Route1

    References

    • Journal of the American Chemical Society, , vol. 106, # 25 p. 8001 - 8002
  • Route2
    • null|null
      620-22-4
    • ~56%
    • In-stock
      3-Cyanobenzaldehyde|CS-W007808
      24964-64-5

    References

    • Organic Preparations and Procedures International, , vol. 37, # 1 p. 83 - 86
  • Route3

    References

    • Chemical Communications, , # 7 p. 688 - 689

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   1.37078
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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