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CS-W001157 4
Total: USD 88.00

2-Bromo-4-fluoro-5-nitrobenzoic acid

  • CAS No. 1036389-83-9

  • Cat. No. CS-W006521
  • Molecule weight264.01
  • Purity≥95%
  • MDL No.MFCD11847619

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

2-Bromo-4-fluoro-5-nitrobenzoic acid|CS-W006521

Structure of 1036389-83-9

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General Information

  • CAS No. 1036389-83-9
  • Cat. No. CS-W006521
  • Purity ≥95%
  • MDL No. MFCD11847619
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃BrFNO₄
  • Molecular Weight 264.01
  • Synonym(s) None
  • SMILES O=C(O)C1=CC([N+]([O-])=O)=C(F)C=C1Br

Description

2-Bromo-4-fluoro-5-nitrobenzoic acid features a highly electron-deficient aromatic core, enabling efficient coupling in cross-coupling and Ullmann-type reactions. The carboxylic acid group facilitates direct derivatization, while the bromo and fluoro substituents provide orthogonal reactivity for sequential functionalization. This compound serves as a key building block in medicinal chemistry and advanced materials synthesis.

Application

2-Bromo-4-fluoro-5-nitrobenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct introduction of halogen, nitro, and carboxylic acid functionalities in a single aromatic scaffold. Its well-defined reactivity profile supports palladium-catalyzed cross-coupling, nucleophilic aromatic substitution, and derivatization via the carboxylic acid group. The molecule exhibits good bench stability and facilitates straightforward purification, making it suitable for multi-step synthetic sequences requiring orthogonal functional group handling.

Synthesis

  • Route1

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2008/79836 A2, 2008 ; Location in patent: Page/Page column 86-87 ; WO 2008/079836 A2

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

Quality Control

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   2.1946
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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