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CS-W001157 4
Total: USD 88.00

4-(Trifluoromethyl)phthalic acid

  • CAS No. 835-58-5

  • Cat. No. CS-0099475
  • Purity≥98%
  • MDL No.MFCD00671572

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

4-(Trifluoromethyl)phthalic acid|CS-0099475

Structure of 835-58-5

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General Information

  • CAS No. 835-58-5
  • Cat. No. CS-0099475
  • Purity ≥98%
  • MDL No. MFCD00671572
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅F₃O₄
  • Molecular Weight 234.13
  • Synonym(s) trifluoromethylphthalicacid
  • SMILES O=C(C1=CC=C(C=C1C(O)=O)C(F)(F)F)O

Description

4-(Trifluoromethyl)phthalic acid features a trifluoromethyl group at the para position of the phthalic acid scaffold, imparting enhanced electron-withdrawing character and improved metabolic stability. This structural motif enables robust integration into bioactive scaffolds and functional materials, particularly in pharmaceutical intermediates and advanced polymer systems where halogenated aromatic units are advantageous.

Synthesis

  • Route1

    References

    • US4016274 A1, ;
  • Route2
    • 1,2-Dimethyl-4-(trifluoromethyl)benzene|CS-0077626
      78164-31-5
    • ~81%
    • In-stock
      4-(Trifluoromethyl)phthalic acid|CS-0099475
      835-58-5

    References

    • Pawlowski, Georg; Hanack, Michael Synthetic Communications, 1981 , vol. 11, # 5 p. 351 - 364
  • Route3
    • 2-(Trifluoromethyl)naphthalene|CS-0574755
      581-90-8
    • ~%
    • In-stock
      4-(Trifluoromethyl)phthalic acid|CS-0099475
      835-58-5

    References

    • Journal of Organic Chemistry USSR (English Translation), , vol. 10, p. 1715 - 1720 Zhurnal Organicheskoi Khimii, , vol. 10, p. 1698 - 1704

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   74.6
  • LogP   2.1018
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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