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CS-W001157 4
Total: USD 88.00

4-Methoxy-3-(trifluoromethyl)benzaldehyde

  • CAS No. 50823-87-5

  • Cat. No. CS-0096777
  • Purity≥97%
  • MDL No.MFCD01091012

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

4-Methoxy-3-(trifluoromethyl)benzaldehyde|CS-0096777

Structure of 50823-87-5

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General Information

  • CAS No. 50823-87-5
  • Cat. No. CS-0096777
  • Purity ≥97%
  • MDL No. MFCD01091012
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇F₃O₂
  • Molecular Weight 204.15
  • Synonym(s) 3-(Trifluoromethyl-p-anisaldehyde
  • SMILES O=CC1=CC=C(OC)C(C(F)(F)F)=C1

Description

4-Methoxy-3-(trifluoromethyl)benzaldehyde features a trifluoromethyl group that enhances electron-withdrawal and metabolic stability, while the para-methoxy substituent provides electron donation and improved solubility. This dual functionalization enables efficient coupling in cross-coupling reactions and facilitates incorporation into bioactive scaffolds under standard conditions.

Application

4-Methoxy-3-(trifluoromethyl)benzaldehyde serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted benzimidazoles, heterocycles, and bioactive scaffolds. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the methoxy and aldehyde functionalities provide orthogonal handles for derivatization. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for scalable synthesis and high-throughput screening workflows.

Safety Information

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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-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.5265
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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