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CS-W001157 4
Total: USD 88.00

4-Amino-2-fluoro-3-methylbenzonitrile

  • CAS No. 757247-93-1

  • Cat. No. CS-0061149
  • Molecule weight150.15
  • Purity≥97%
  • MDL No.None

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

4-Amino-2-fluoro-3-methylbenzonitrile|CS-0061149

Structure of 757247-93-1

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General Information

  • CAS No. 757247-93-1
  • Cat. No. CS-0061149
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FN₂
  • Molecular Weight 150.15
  • Synonym(s) Benzonitrile, 4-amino-2-fluoro-3-methyl- (9CI)
  • SMILES CC1=C(C(=CC=C1N)C#N)F

Description

4-Amino-2-fluoro-3-methylbenzonitrile features a strategically positioned amino group and nitrile moiety on a fluorinated aromatic scaffold, enabling direct incorporation into diverse heterocyclic frameworks. This electron-deficient aryl building block facilitates efficient coupling reactions under mild conditions, delivering high functional group tolerance and robust stability in synthetic workflows.

Application

4-Amino-2-fluoro-3-methylbenzonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to functionalized aromatic scaffolds. The molecule combines an electron-rich amine, a fluorinated site for metabolic stability, and a nitrile group amenable to nucleophilic addition or hydrolysis—facilitating downstream derivatization. Its bench-stable nature and compatibility with standard coupling reactions make it ideal for constructing complex heterocycles and API intermediates in high-throughput synthesis workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   1.588
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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