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CS-W001157 4
Total: USD 88.00

4'-Cyano-[1,1'-biphenyl]-4-carboxylic acid

  • CAS No. 5728-46-1

  • Cat. No. CS-0157566
  • Molecule weight223.23
  • Purity≥98%
  • MDL No.MFCD00438676

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

4'-Cyano-[1,1'-biphenyl]-4-carboxylic acid|CS-0157566

Structure of 5728-46-1

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General Information

  • CAS No. 5728-46-1
  • Cat. No. CS-0157566
  • Purity ≥98%
  • MDL No. MFCD00438676
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₉NO₂
  • Molecular Weight 223.23
  • Synonym(s) 4'-CYANO-BIPHENYL-4-CARBOXYLIC ACID
  • SMILES C1=C(C=CC(=C1)C2=CC=C(C=C2)C(=O)O)C#N

Description

4'-Cyano-[1,1'-biphenyl]-4-carboxylic acid features a conjugated biphenyl core with electron-withdrawing cyano and carboxylic acid groups at opposite ends. This arrangement imparts strong dipole moments and enhanced solubility in polar solvents, enabling efficient integration into functional materials and pharmaceutical intermediates under standard conditions.

Application

4'-Cyano-[1,1'-biphenyl]-4-carboxylic acid serves as a versatile building block for conjugated systems and heterocyclic scaffolds. Its dual functionality—cyano and carboxylic acid groups—enables diverse transformations including amidation, esterification, and coupling reactions. The molecule exhibits good bench stability and facilitates efficient purification via recrystallization, making it well-suited for iterative synthesis in medicinal chemistry and materials science applications.

Synthesis

  • Route1

    References

    • Journal of the Chemical Society [Section] C: Organic, , p. 840 - 845
  • Route2

    References

    • Journal of the Chemical Society [Section] C: Organic, , p. 840 - 845
  • Route3
    • In-stock
      4'-Bromo-[1,1'-biphenyl]-4-carboxylic acid|CS-0033739
      5731-11-3
    • null|null
      544-92-3
    • ~%
    • In-stock
      4'-Cyano-[1,1'-biphenyl]-4-carboxylic acid|CS-0157566
      5728-46-1

    References

    • Journal of the Chemical Society [Section] C: Organic, , p. 840 - 845

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

Quality Control

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Computational Chemistry Data

  • TPSA   61.09
  • LogP   2.92348
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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