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CS-W001157 4
Total: USD 88.00

4-Hydroxy-3-(trifluoromethyl)benzaldehyde

  • CAS No. 220227-98-5

  • Cat. No. CS-W008337
  • Purity≥95%
  • MDL No.MFCD01091006

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

4-Hydroxy-3-(trifluoromethyl)benzaldehyde|CS-W008337

Structure of 220227-98-5

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General Information

  • CAS No. 220227-98-5
  • Cat. No. CS-W008337
  • Purity ≥95%
  • MDL No. MFCD01091006
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₃O₂
  • Molecular Weight 190.12
  • Synonym(s) VHR DQ CXFFF [WLN]
  • SMILES O=CC1=CC=C(O)C(C(F)(F)F)=C1

Description

4-Hydroxy-3-(trifluoromethyl)benzaldehyde features a phenolic hydroxyl group ortho to a strongly electron-withdrawing trifluoromethyl substituent, enhancing its reactivity in electrophilic aromatic substitution. This bifunctional scaffold integrates readily into pharmaceutical intermediates and functional materials due to its balanced polarity and stability under standard conditions.

Application

4-Hydroxy-3-(trifluoromethyl)benzaldehyde serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling direct incorporation of both phenolic and electron-withdrawing trifluoromethyl functionalities. Its aldehyde group facilitates efficient imine formation, reductive amination, and Ullmann-type coupling reactions, while the hydroxyl group supports orthogonal protection strategies. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthetic workflows in medicinal chemistry and process development.

Synthesis

  • Route1

    References

    • WYETH Patent: WO2005/37807 A1, 2005 ; Location in patent: Page/Page column 218-219 ; WO 2005/037807 A1
  • Route2
    • In-stock
      2-(Trifluoromethyl)phenol|CS-W016125
      444-30-4
    • null|null
      76-05-1
    • ~35%
    • In-stock
      4-Hydroxy-3-(trifluoromethyl)benzaldehyde|CS-W008337
      220227-98-5

    References

    • WYETH Patent: WO2005/37207 A2, 2005 ; Location in patent: Page/Page column 209-210 ; WO 2005/037207 A2

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   37.3
  • LogP   2.2235
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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