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2-Fluoro-6-(methylamino)benzonitrile

  • CAS No. 96783-85-6

  • Cat. No. CS-M2832
  • Molecule weight150.15
  • Purity≥98%
  • MDL No.MFCD12193344

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

2-Fluoro-6-(methylamino)benzonitrile|CS-M2832

Structure of 96783-85-6

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General Information

  • CAS No. 96783-85-6
  • Cat. No. CS-M2832
  • Purity ≥98%
  • MDL No. MFCD12193344
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FN₂
  • Molecular Weight 150.15
  • Synonym(s) 2-Fluoro-6-MethylaMino-benzonitrile
  • SMILES FC1=C(C#N)C(NC)=CC=C1

Description

2-Fluoro-6-(methylamino)benzonitrile features a strategically positioned fluorine atom and a methylamino group on the aromatic ring, enhancing electron density at key reaction sites. This combination enables efficient coupling in late-stage functionalization, particularly in pharmaceutical synthesis where metabolic stability and target engagement are critical. The nitrile moiety serves as a versatile handle for derivatization under mild conditions.

Application

2-Fluoro-6-(methylamino)benzonitrile serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its orthogonal functionality—fluorine, methylamino, and nitrile groups—permits selective transformations under standard coupling and cyclization conditions. The compound exhibits good bench stability and facilitates efficient purification, making it well-suited for iterative synthetic workflows in API development.

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   35.82
  • LogP   1.73908
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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