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CS-W001157 4
Total: USD 88.00

5-Amino-2-fluoro-4-methylbenzonitrile

  • CAS No. 1426136-04-0

  • Cat. No. CS-0061249
  • Purity≥98%
  • MDL No.None

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

5-Amino-2-fluoro-4-methylbenzonitrile|CS-0061249

Structure of 1426136-04-0

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General Information

  • CAS No. 1426136-04-0
  • Cat. No. CS-0061249
  • Purity ≥98%
  • 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) None
  • SMILES CC1=CC(=C(C=C1N)C#N)F

Description

5-Amino-2-fluoro-4-methylbenzonitrile features a trifunctional aromatic core enabling direct integration into complex molecular architectures. The electron-donating amino group pairs with the electron-withdrawing nitrile and fluorine substituents, creating a balanced polarity profile ideal for pharmaceutical intermediates. This bench-stable derivative supports efficient coupling reactions under standard conditions.

Application

5-Amino-2-fluoro-4-methylbenzonitrile serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated aromatic scaffolds through standard coupling and functional group interconversions. Its ortho-fluoro and para-amino groups facilitate directed metallation and electrophilic substitution, while the nitrile moiety supports downstream transformations into carboxylic acids, amides, or heterocycles. Bench-stable and compatible with common purification methods, it functions effectively in multi-step synthetic sequences for 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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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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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