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CS-W001157 4
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3-Fluoro-2-methylbenzonitrile

  • CAS No. 185147-06-2

  • Cat. No. CS-W019425
  • Purity≥97%
  • MDL No.MFCD03788541

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

3-Fluoro-2-methylbenzonitrile|CS-W019425

Structure of 185147-06-2

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General Information

  • CAS No. 185147-06-2
  • Cat. No. CS-W019425
  • Purity ≥97%
  • MDL No. MFCD03788541
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FN
  • Molecular Weight 135.14
  • Synonym(s) Benzonitrile, 3-fluoro-2-methyl- (9CI)
  • SMILES N#CC1=CC=CC(F)=C1C

Description

3-Fluoro-2-methylbenzonitrile features a fluorinated aromatic ring with strategically positioned methyl and nitrile groups, enabling selective functionalization in pharmaceutical intermediates. This electron-deficient scaffold integrates readily into complex heterocycles, offering enhanced metabolic stability and tunable lipophilicity for drug discovery applications.

Application

3-Fluoro-2-methylbenzonitrile serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the electron-deficient aromatic ring. Its fluorine and nitrile groups provide orthogonal reactivity for late-stage derivatization, while the methyl substituent offers steric and electronic modulation. The compound exhibits excellent bench stability and compatibility with standard coupling reactions, facilitating efficient access to substituted heterocycles and API intermediates.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3276
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-P361+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.0058
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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