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CS-W001157 4
Total: USD 88.00

3-(Difluoromethoxy)phenol

  • CAS No. 88798-13-4

  • Cat. No. CS-W021774
  • Purity≥97%
  • MDL No.MFCD00236235

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

3-(Difluoromethoxy)phenol|CS-W021774

Structure of 88798-13-4

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General Information

  • CAS No. 88798-13-4
  • Cat. No. CS-W021774
  • Purity ≥97%
  • MDL No. MFCD00236235
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆F₂O₂
  • Molecular Weight None
  • Synonym(s) alpha,alpha-Difluoro-3-hydroxyanisole
  • SMILES OC1=CC(OC(F)F)=CC=C1

Description

3-(Difluoromethoxy)phenol features a difluoromethoxy group ortho to a phenolic hydroxyl, conferring enhanced metabolic stability and lipophilicity. This electron-withdrawing substitution pattern modulates reactivity in cross-coupling and electrophilic functionalization. The compound serves as a key building block in medicinal chemistry for bioactive molecule synthesis, particularly where fluorinated ether moieties improve membrane permeability and target engagement.

Application

3-(Difluoromethoxy)phenol serves as a valuable building block in medicinal chemistry, enabling the introduction of a polar, electron-withdrawing difluoromethoxy group at the meta position of an aromatic ring. Its stability under standard reaction conditions and compatibility with diverse functional groups facilitate its use in Suzuki-Miyaura couplings, electrophilic substitutions, and heterocycle synthesis. The compound functions effectively in the construction of bioactive scaffolds requiring enhanced metabolic stability and modulated lipophilicity.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H318-H335-H412
Precautionary Statements : P261-P264-P270-P271-P273-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   1.9936
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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