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CS-W001157 4
Total: USD 88.00

3-(Trifluoromethoxy)phenol

  • CAS No. 827-99-6

  • Cat. No. CS-W007985
  • Purity≥98%
  • MDL No.MFCD00040987

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

3-(Trifluoromethoxy)phenol|CS-W007985

Structure of 827-99-6

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General Information

  • CAS No. 827-99-6
  • Cat. No. CS-W007985
  • Purity ≥98%
  • MDL No. MFCD00040987
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅F₃O₂
  • Molecular Weight 178.11
  • Synonym(s) 3-Hydroxyphenyl Trifluoromethyl Ether
  • SMILES OC1=CC=CC(OC(F)(F)F)=C1

Description

3-(Trifluoromethoxy)phenol features a trifluoromethoxy group attached to the meta position of a phenolic ring, delivering enhanced electron-withdrawing character and improved metabolic stability. This combination imparts strong solubility in organic solvents and resistance to oxidation under standard handling conditions. The compound serves as a key building block in the synthesis of pharmaceutical intermediates, agrochemicals, and functional materials requiring fluorinated aromatic motifs.

Application

3-(Trifluoromethoxy)phenol serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to bioactive heterocycles through standard electrophilic substitution and coupling reactions. Its trifluoromethoxy group imparts enhanced metabolic stability and lipophilicity, while the phenolic functionality offers direct handle for derivatization via etherification, esterification, or metal-catalyzed cross-coupling. 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 : 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

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Computational Chemistry Data

  • TPSA   29.46
  • LogP   2.2908
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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