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CS-W001157 4
Total: USD 88.00

4-(4-Nitrobenzoyl)benzoic acid

  • CAS No. 7377-13-1

  • Cat. No. CS-0157589
  • Purity≥98%
  • MDL No.MFCD00429185

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

4-(4-Nitrobenzoyl)benzoic acid|CS-0157589

Structure of 7377-13-1

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General Information

  • CAS No. 7377-13-1
  • Cat. No. CS-0157589
  • Purity ≥98%
  • MDL No. MFCD00429185
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₉NO₅
  • Molecular Weight 271.22
  • Synonym(s) 4-(4-NITRO-BENZOYL)-BENZOIC ACID
  • SMILES C1=C(C=CC(=C1)C(=O)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Description

4-(4-Nitrobenzoyl)benzoic acid features a dual carboxylic acid architecture flanked by electron-deficient aromatic systems, enabling robust conjugation in supramolecular assemblies. This rigid, planar scaffold facilitates precise molecular positioning in crystal engineering and functional materials design under standard conditions.

Application

4-(4-Nitrobenzoyl)benzoic acid serves as a versatile building block for conjugated aromatic systems, enabling efficient access to functionalized biaryls and heterocyclic scaffolds. Its dual carboxylic acid functionality offers high reactivity in amide coupling, esterification, and cyclization protocols. The molecule exhibits excellent bench stability and facilitates straightforward purification via recrystallization, making it well-suited for iterative synthesis in medicinal chemistry and materials development.

Synthesis

  • Route1
    • null|null
      5350-47-0
    • ~84%
    • In-stock
      4-(4-Nitrobenzoyl)benzoic acid|CS-0157589
      7377-13-1

    References

    • Zhang, Liying; Zhang, Yingxia; Dong, Jizhe; Liu, Jun; Zhang, Luyong; Sun, Hongbin Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 2 p. 1036 - 1039
  • Route2
    • null|null
      108-88-3
    • ~%
    • In-stock
      4-(4-Nitrobenzoyl)benzoic acid|CS-0157589
      7377-13-1

    References

    • Faridoon; Hussein, Waleed M.; Vella, Peter; Islam, Nazar Ul; Ollis, David L.; Schenk, Gerhard; McGeary, Ross P. Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 1 p. 380 - 386
  • Route3
    • null|null
      122-04-3
    • ~%
    • In-stock
      4-(4-Nitrobenzoyl)benzoic acid|CS-0157589
      7377-13-1

    References

    • Zhang, Liying; Zhang, Yingxia; Dong, Jizhe; Liu, Jun; Zhang, Luyong; Sun, Hongbin Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 2 p. 1036 - 1039

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   97.51
  • LogP   2.524
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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