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2-Fluoro-3-(hydroxymethyl)benzonitrile

  • CAS No. 1261861-91-9

  • Cat. No. CS-0157232
  • Purity≥97%
  • MDL No.MFCD18394036

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

2-Fluoro-3-(hydroxymethyl)benzonitrile|CS-0157232

Structure of 1261861-91-9

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General Information

  • CAS No. 1261861-91-9
  • Cat. No. CS-0157232
  • Purity ≥97%
  • MDL No. MFCD18394036
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FNO
  • Molecular Weight 151.14
  • Synonym(s) 2-Fluoro-3-hydroxymethyl-benzonitrile
  • SMILES C1=CC(=C(C(=C1)CO)F)C#N

Description

2-Fluoro-3-(hydroxymethyl)benzonitrile features a strategically positioned fluorine atom and a hydroxymethyl group on a benzene ring bearing a nitrile functionality. This combination enables direct incorporation into pharmaceutical intermediates, offering enhanced metabolic stability and targeted reactivity for C–C bond formation under standard conditions.

Application

2-Fluoro-3-(hydroxymethyl)benzonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted benzimidazoles and other heterocyclic scaffolds. The nitrile group facilitates nucleophilic addition and cyclization reactions, while the hydroxymethyl functionality supports oxidation to carboxylic acid or protection for subsequent transformations. Bench-stable and compatible with standard synthetic workflows, it offers reliable functional group tolerance and ease of purification in multi-step sequences.

Safety Information

Download SDS
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   44.02
  • LogP   1.18968
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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