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CS-W001157 4
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3-Fluoro-4-hydroxybenzonitrile

  • CAS No. 405-04-9

  • Cat. No. CS-W002523
  • Purity≥97%
  • MDL No.MFCD00215834

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

3-Fluoro-4-hydroxybenzonitrile|CS-W002523

Structure of 405-04-9

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General Information

  • CAS No. 405-04-9
  • Cat. No. CS-W002523
  • Purity ≥97%
  • MDL No. MFCD00215834
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄FNO
  • Molecular Weight 137.11
  • Synonym(s) 4-Cyano-2-fluorophenol
  • SMILES N#Cc1ccc(c(c1)F)O

Description

3-Fluoro-4-hydroxybenzonitrile features a strategically positioned hydroxyl group and nitrile moiety on a fluorinated aromatic ring, enabling direct coupling in Suzuki-Miyaura and Ullmann reactions. This bench-stable scaffold integrates readily into bioactive heterocycles and pharmaceutical intermediates, offering enhanced solubility and metabolic stability in drug discovery workflows.

Application

3-Fluoro-4-hydroxybenzonitrile serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling efficient access to substituted benzene scaffolds. Its orthogonal functional groups—fluorine, hydroxyl, and nitrile—permit selective transformations under standard conditions, including nucleophilic substitution, coupling reactions, and derivatization via the hydroxyl group. Bench-stable and readily purified by crystallization, it functions effectively in multi-step syntheses requiring precise regiocontrol and compatibility with diverse reaction environments.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H319-H331-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P363-P405-P501

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Computational Chemistry Data

  • TPSA   44.02
  • LogP   1.40298
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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