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CS-W001157 4
Total: USD 88.00

3-Fluoro-5-hydroxybenzonitrile

  • CAS No. 473923-95-4

  • Cat. No. CS-W001086
  • Molecule weight137.11
  • Purity≥98%
  • MDL No.MFCD09972133

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

3-Fluoro-5-hydroxybenzonitrile|CS-W001086

Structure of 473923-95-4

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General Information

  • CAS No. 473923-95-4
  • Cat. No. CS-W001086
  • Purity ≥98%
  • MDL No. MFCD09972133
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄FNO
  • Molecular Weight 137.11
  • Synonym(s) 3-Cyano-5-fluorophenol
  • SMILES N#Cc1cc(O)cc(c1)F

Description

3-Fluoro-5-hydroxybenzonitrile features a strategically positioned hydroxyl group adjacent to a nitrile moiety, enabling direct functionalization in downstream synthetic transformations. The electron-withdrawing fluorine substituent enhances regioselectivity in electrophilic substitution reactions. This bench-stable, moisture-tolerant scaffold integrates readily into bioactive molecule design and serves as a key intermediate for pharmaceutical and agrochemical development.

Application

3-Fluoro-5-hydroxybenzonitrile serves as a versatile building block for bioactive heterocycles and pharmaceutical intermediates. The ortho-fluoro and para-hydroxy groups enable directed metalation and electrophilic substitution, while the nitrile functions as a handle for amide, acid, or aldehyde transformations. Bench-stable and compatible with standard purification methods, it facilitates efficient synthesis of complex scaffolds in medicinal chemistry workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
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   44.02
  • LogP   1.40298
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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