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CS-W001157 4
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1-Bromo-2-fluoro-3-methyl-5-nitrobenzene

  • CAS No. 175610-68-1

  • Cat. No. CS-0448669
  • Molecule weight234.02
  • Purity≥97%
  • MDL No.None

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

1-Bromo-2-fluoro-3-methyl-5-nitrobenzene|CS-0448669

Structure of 175610-68-1

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General Information

  • CAS No. 175610-68-1
  • Cat. No. CS-0448669
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrFNO₂
  • Molecular Weight 234.02
  • Synonym(s) None
  • SMILES CC1=CC(=CC(=C1F)Br)[N+](=O)[O-]

Description

1-Bromo-2-fluoro-3-methyl-5-nitrobenzene features a densely functionalized aromatic core with orthogonal reactivity. The bromo and fluoro substituents enable palladium-catalyzed cross-coupling and nucleophilic substitution, while the para-nitro group serves as a strong electron-withdrawing anchor. This combination supports precise molecular elaboration in medicinal chemistry and materials synthesis.

Application

1-Bromo-2-fluoro-3-methyl-5-nitrobenzene serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The bromo group facilitates efficient Suzuki, Stille, or Negishi coupling, while the fluoro and nitro substituents offer directed functionalization potential. Its bench-stable nature and compatibility with diverse reaction conditions make it well-suited for multi-step synthesis of complex aromatic scaffolds.

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
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.80482
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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