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CS-W001157 4
Total: USD 88.00

3-Formyl-4-nitrobenzonitrile

  • CAS No. 90178-82-8

  • Cat. No. CS-0040691
  • Purity≥95%
  • MDL No.MFCD10696868

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

3-Formyl-4-nitrobenzonitrile|CS-0040691

Structure of 90178-82-8

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General Information

  • CAS No. 90178-82-8
  • Cat. No. CS-0040691
  • Purity ≥95%
  • MDL No. MFCD10696868
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄N₂O₃
  • Molecular Weight 176.13
  • Synonym(s) 3-Formyl-4-nitrobenzonitril
  • SMILES N#CC1=CC=C([N+]([O-])=O)C(C=O)=C1

Description

3-Formyl-4-nitrobenzonitrile features a trifunctional aromatic core combining electron-deficient nitro and cyano groups with a reactive aldehyde handle. This configuration enables direct coupling in multistep syntheses, particularly useful in constructing heterocyclic scaffolds and functionalized materials under standard conditions.

Application

3-Formyl-4-nitrobenzonitrile serves as a versatile building block in synthetic organic chemistry, enabling access to functionalized aromatic scaffolds via standard transformations. The molecule combines an aldehyde, nitro, and nitrile group in a single framework, offering orthogonal reactivity for sequential derivatization. Its bench stability and compatibility with common coupling and reduction protocols make it well-suited for medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • , vol. 1984, # 3 p. 409 - 425
  • Route2
    • 3-(Hydroxymethyl)-4-nitrobenzonitrile|CS-0901195
      90178-81-7
    • ~%
    • In-stock
      3-Formyl-4-nitrobenzonitrile|CS-0040691
      90178-82-8

    References

    • , vol. 1984, # 3 p. 409 - 425

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   84
  • LogP   1.27898
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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