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CS-W001157 4
Total: USD 88.00

4-Formyl-3-nitrobenzonitrile

  • CAS No. 90178-78-2

  • Cat. No. CS-0045081
  • Purity≥98%
  • MDL No.MFCD10696869

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

4-Formyl-3-nitrobenzonitrile|CS-0045081

Structure of 90178-78-2

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General Information

  • CAS No. 90178-78-2
  • Cat. No. CS-0045081
  • Purity ≥98%
  • MDL No. MFCD10696869
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄N₂O₃
  • Molecular Weight 176.13
  • Synonym(s) 4-cyano-2-nitro-benzaldehyde
  • SMILES N#CC1=CC=C(C=O)C([N+]([O-])=O)=C1

Synthesis

  • Route1
    • null|null
      61293-30-9
    • ~77%
    • In-stock
      4-Formyl-3-nitrobenzonitrile|CS-0045081
      90178-78-2

    References

    • THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL Patent: EP1719767 A1, 2006 ; Location in patent: Page/Page column 24-28; 41 ;
  • Route2

    References

    • Patrick, Donald A.; Bakunov, Stanislav A.; Bakunova, Svetlana M.; Kumar, E.V.K. Suresh; Lombardy, Richard J.; Jones, Susan Kilgore; Bridges, Arlene S.; Zhirnov, Oksana; Hall, James Edwin; Wenzler, Tanja; Brun, Reto; Tidwell, Richard R. Journal of Medicinal Chemistry, 2007 , vol. 50, # 10 p. 2468 - 2485
  • Route3
    • null|null
      90178-79-3
    • ~62%
    • In-stock
      4-Formyl-3-nitrobenzonitrile|CS-0045081
      90178-78-2

    References

    • Dann; Ruff; Wolff; Griessmeier 1984 , 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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