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CS-W001157 4
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3-Bromo-2-fluoroaniline

  • CAS No. 58534-95-5

  • Cat. No. CS-W004725
  • Purity≥98%
  • MDL No.MFCD09864700

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

3-Bromo-2-fluoroaniline|CS-W004725

Structure of 58534-95-5

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General Information

  • CAS No. 58534-95-5
  • Cat. No. CS-W004725
  • Purity ≥98%
  • MDL No. MFCD09864700
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅BrFN
  • Molecular Weight 190.01
  • Synonym(s) benzenamine, 3-bromo-2-fluoro-
  • SMILES BrC1=CC=CC(=C1F)N

Description

3-Bromo-2-fluoroaniline delivers a strategically positioned bromo and fluoro substituent on the aromatic ring, enabling direct incorporation into cross-coupling reactions. This electron-deficient aniline serves as a key intermediate for pharmaceuticals and functional materials, offering enhanced reactivity and stability under standard conditions.

Application

3-Bromo-2-fluoroaniline serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct incorporation of both bromo and fluoro substituents into heterocyclic frameworks. Its reactivity profile supports palladium-catalyzed cross-coupling reactions and electrophilic substitution processes, with bench-stable crystalline form facilitating handling and purification. Functions as a key intermediate for diverse API scaffolds requiring ortho-heteroatom substitution.

Synthesis

  • Route1

    References

    • BAYER SCHERING PHARMA AKTIEGESELLSCHAFT Patent: US2011/34450 A1, 2011 ; Location in patent: Page/Page column 95 ;

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   2.1704
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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