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CS-W001157 4
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2-Amino-5-bromo-4-fluorobenzonitrile

  • CAS No. 1334331-01-9

  • Cat. No. CS-0136732
  • Molecule weight215.02
  • Purity≥96%
  • MDL No.None

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

2-Amino-5-bromo-4-fluorobenzonitrile|CS-0136732

Structure of 1334331-01-9

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General Information

  • CAS No. 1334331-01-9
  • Cat. No. CS-0136732
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrFN₂
  • Molecular Weight 215.02
  • Synonym(s) 5-Bromo-4-fluoroanthranilonitrile, 4-Bromo-2-cyano-5-fluoroaniline
  • SMILES N#CC1=CC(Br)=C(F)C=C1N

Description

2-Amino-5-bromo-4-fluorobenzonitrile features a strategically positioned amino group flanked by bromo and fluoro substituents, enabling selective coupling reactions. The nitrile moiety provides a robust handle for downstream functionalization. This electron-deficient aromatic scaffold offers enhanced stability under standard conditions, facilitating integration into complex molecular architectures.

Application

2-Amino-5-bromo-4-fluorobenzonitrile serves as a versatile building block in the synthesis of pharmaceutical intermediates and functionalized heterocycles. Its ortho-amino and cyano groups enable sequential transformations, while the bromo and fluoro substituents facilitate palladium-catalyzed cross-coupling reactions. The compound exhibits good bench stability and is amenable to standard purification techniques, making it well-suited for iterative synthetic workflows in medicinal chemistry and process development.

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 : 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   49.81
  • LogP   2.04208
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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