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CS-W001157 4
Total: USD 88.00

4-(Pyridin-4-yl)benzoic acid

  • CAS No. 4385-76-6

  • Cat. No. CS-W008692
  • Purity≥95%
  • MDL No.MFCD04114574

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

4-(Pyridin-4-yl)benzoic acid|CS-W008692

Structure of 4385-76-6

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General Information

  • CAS No. 4385-76-6
  • Cat. No. CS-W008692
  • Purity ≥95%
  • MDL No. MFCD04114574
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉NO₂
  • Molecular Weight 199.21
  • Synonym(s) None
  • SMILES O=C(O)C=1C=CC(=CC1)C=2C=CN=CC2

Description

4-(Pyridin-4-yl)benzoic acid features a rigid, planar architecture bridging pyridine and benzoic acid moieties, enabling strong π–π stacking and directional hydrogen bonding. This structural synergy enhances crystallinity and solubility in polar aprotic solvents, facilitating use in metal–organic frameworks and as a building block for functionalized conjugated systems under standard conditions.

Synthesis

  • Route1
    • null|null
      1120-87-2
    • In-stock
      4-Boronobenzoic acid|CS-W019665
      14047-29-1
    • ~98%
    • In-stock
      4-(Pyridin-4-yl)benzoic acid|CS-W008692
      4385-76-6

    References

    • Holzer, Marcel; Ziegler, Sigrid; Neugebauer, Alexander; Kronenberger, Bernd; Klein, Christian D.; Hartmann, Rolf W. Archiv der Pharmazie, 2008 , vol. 341, # 8 p. 478 - 484
  • Route2
    • 4-(P-Tolyl)Pyridine|CS-0765497
      4423-10-3
    • ~93%
    • In-stock
      4-(Pyridin-4-yl)benzoic acid|CS-W008692
      4385-76-6

    References

    • Jary, Walther; Poechlauer, Peter; Ganglberger, Thorsten Patent: US2003/216577 A1, 2003 ; Location in patent: Page/Page column 5 ;
  • Route3

    References

    • Boehringer Ingelheim International GmbH Patent: US2004/242572 A1, 2004 ; Location in patent: Page/Page column 73 ;

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   50.19
  • LogP   2.4468
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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