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CS-W001157 4
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5-Bromo-2-fluoro-3-nitrobenzoic acid

  • CAS No. 1153279-80-1

  • Cat. No. CS-0059842
  • Purity≥95%
  • MDL No.None

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

5-Bromo-2-fluoro-3-nitrobenzoic acid|CS-0059842

Structure of 1153279-80-1

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General Information

  • CAS No. 1153279-80-1
  • Cat. No. CS-0059842
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃BrFNO₄
  • Molecular Weight 264.01
  • Synonym(s) 5-Bromo-2-fluoro-3-itrobenzoic acid
  • SMILES C=1([N+]([O-])=O)C(=C(C(=O)O)C=C(C1)Br)F

Description

5-Bromo-2-fluoro-3-nitrobenzoic acid features a densely functionalized aromatic core with bromine, fluorine, and nitro groups positioned for orthogonal reactivity. This electron-deficient scaffold enables direct coupling in cross-coupling or nucleophilic substitution protocols. The carboxylic acid moiety provides a handle for derivatization, while the halogen atoms facilitate selective metal-catalyzed transformations under mild conditions. Bench-stable and moisture-tolerant, this compound serves as a high-value building block in medicinal chemistry and materials synthesis.

Application

5-Bromo-2-fluoro-3-nitrobenzoic acid serves as a versatile building block for the synthesis of substituted heterocycles and pharmaceutical intermediates. Its orthogonal reactivity profile—enabled by bromine, fluorine, and nitro groups—facilitates palladium-catalyzed cross-coupling, nucleophilic aromatic substitution, and controlled reduction sequences. The carboxylic acid group allows for direct derivatization or salt formation, enhancing solubility and purification. Bench-stable and compatible with standard synthetic workflows, it enables efficient access to complex aryl scaffolds in medicinal chemistry and materials science.

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

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