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CS-W001157 4
Total: USD 88.00

4-Nitrophthalonitrile

  • CAS No. 31643-49-9

  • Cat. No. CS-W019431
  • Purity≥98%
  • MDL No.MFCD00040301

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

4-Nitrophthalonitrile|CS-W019431

Structure of 31643-49-9

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General Information

  • CAS No. 31643-49-9
  • Cat. No. CS-W019431
  • Purity ≥98%
  • MDL No. MFCD00040301
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₃N₃O₂
  • Molecular Weight 173.13
  • Synonym(s) None
  • SMILES C1=C(C(=CC=C1[N+](=O)[O-])C#N)C#N

Description

4-Nitrophthalonitrile features a dual functional group architecture with a nitro group and two nitrile moieties positioned ortho to each other on a benzene ring. This electron-deficient core enables efficient coupling in heterocyclic synthesis and serves as a key building block for advanced materials, including organic semiconductors and coordination polymers.

Synthesis

  • Route1

    References

    • Aranyos, Viviane; Castano, Ana M.; Grennberg, Helena Acta Chemica Scandinavica, 1999 , vol. 53, # 9 p. 714 - 720
  • Route2

    References

    • Organic and Biomolecular Chemistry, , vol. 1, # 13 p. 2326 - 2335
  • Route3
    • 4-Nitrophthalic acid Apremilast Impurity|CS-0173715
      610-27-5
    • ~%
    • In-stock
      4-Nitrophthalonitrile|CS-W019431
      31643-49-9

    References

    • Chemical Physics Letters, , vol. 423, # 4-6 p. 306 - 311

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   90.72
  • LogP   1.33816
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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