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CS-W001157 4
Total: USD 88.00

4-Bromo-2,3-difluoroaniline

  • CAS No. 112279-72-8

  • Cat. No. CS-0028730
  • Molecule weight208.00
  • Purity≥97%
  • MDL No.MFCD09030643

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

4-Bromo-2,3-difluoroaniline|CS-0028730

Structure of 112279-72-8

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General Information

  • CAS No. 112279-72-8
  • Cat. No. CS-0028730
  • Purity ≥97%
  • MDL No. MFCD09030643
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄BrF₂N
  • Molecular Weight 208.00
  • Synonym(s) 4-Bromo-2,3-difluorobenzenamine; 4-Brom-2,3-difluoranilin
  • SMILES NC1=CC=C(Br)C(F)=C1F

Description

4-Bromo-2,3-difluoroaniline features a trifunctional aromatic core with bromine and two fluorine substituents positioned for selective coupling in medicinal chemistry. This electron-deficient aniline derivative enables direct incorporation into heterocyclic scaffolds under standard conditions, offering enhanced metabolic stability and tunable electronic properties in bioactive molecule design.

Application

4-Bromo-2,3-difluoroaniline serves as a valuable building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to fluorinated aromatic scaffolds. Its orthogonal reactivity profile—combining bromine for cross-coupling and difluorinated aryl functionality for metabolic stability—facilitates modular diversification in target-oriented synthesis. The compound exhibits good bench stability and compatibility with standard reaction conditions, simplifying purification and scale-up in process development workflows.

Synthesis

  • Route1

    References

    • Shionogi and Co., Ltd. Patent: US2012/253040 A1, 2012 ; Location in patent: Page/Page column 35 ;

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.3095
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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