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CS-W001157 4
Total: USD 88.00

3-(Trifluoromethoxy)benzaldehyde

  • CAS No. 52771-21-8

  • Cat. No. CS-W019515
  • Purity≥97%
  • MDL No.MFCD00042406

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

3-(Trifluoromethoxy)benzaldehyde|CS-W019515

Structure of 52771-21-8

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General Information

  • CAS No. 52771-21-8
  • Cat. No. CS-W019515
  • Purity ≥97%
  • MDL No. MFCD00042406
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₃O₂
  • Molecular Weight 190.12
  • Synonym(s) 3-(TRIFLUOROMETHOXY)BENZALDEHYDE 95
  • SMILES C1=C(C=CC=C1OC(F)(F)F)C=O

Description

3-(Trifluoromethoxy)benzaldehyde may be used in chemical synthesis.

Application

3-(Trifluoromethoxy)benzaldehyde serves as a valuable building block in medicinal chemistry and materials science, enabling the synthesis of bioactive heterocycles and functionalized aromatic systems. Its trifluoromethoxy group imparts enhanced metabolic stability and lipophilicity, while the aldehyde functionality facilitates straightforward derivatization via imine formation, reductive amination, or Grignard additions. The compound exhibits excellent bench stability and compatibility with standard purification techniques, making it a reliable reagent for high-throughput screening and process development workflows.

Synthesis

  • Route1
    • In-stock
      1-Bromo-3-(trifluoromethoxy)benzene|CS-W012800
      2252-44-0
    • null|null
      68-12-2
    • ~87%
    • In-stock
      3-(Trifluoromethoxy)benzaldehyde|CS-W019515
      52771-21-8

    References

    • Castagnetti, Eva; Schlosser, Manfred European Journal of Organic Chemistry, 2001 , # 4 p. 691 - 695
  • Route2

    References

    • Stogryn Journal of Medicinal Chemistry, 1973 , vol. 16, # 12 p. 1399 - 1401
  • Route3
    • null|null
      39161-76-7
    • ~%
    • In-stock
      3-(Trifluoromethoxy)benzaldehyde|CS-W019515
      52771-21-8

    References

    • Stogryn Journal of Medicinal Chemistry, 1973 , vol. 16, # 12 p. 1399 - 1401

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.3977
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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