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CS-W001157 4
Total: USD 88.00

4-Bromo-3-nitrobenzoic acid

  • CAS No. 6319-40-0

  • Cat. No. CS-W010246
  • Purity≥98%
  • MDL No.MFCD00272137

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

4-Bromo-3-nitrobenzoic acid|CS-W010246

Structure of 6319-40-0

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General Information

  • CAS No. 6319-40-0
  • Cat. No. CS-W010246
  • Purity ≥98%
  • MDL No. MFCD00272137
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrNO₄
  • Molecular Weight 246.01
  • Synonym(s) 4-bromo-3-nitrobenzoate
  • SMILES BrC1=C([N+]([O-])=O)C=C(C(O)=O)C=C1

Description

4-Bromo-3-nitrobenzoic acid features a bromine substituent and a nitro group positioned ortho to each other on the aromatic ring, creating a highly electron-deficient platform. This configuration enables direct coupling in cross-coupling reactions and facilitates functionalization in pharmaceutical intermediates. The carboxylic acid moiety provides a handle for derivatization under standard conditions.

Application

4-Bromo-3-nitrobenzoic acid serves as a versatile building block for the synthesis of pharmaceutical intermediates and functionalized heterocycles. Its orthogonal reactivity—combining a bromine handle for palladium-catalyzed cross-coupling with a nitro group amenable to reduction and subsequent cyclization—enables efficient access to complex scaffolds. The carboxylic acid functionality supports direct derivatization or salt formation, enhancing solubility and purification. Bench-stable and readily available, it facilitates robust, scalable synthesis workflows in medicinal chemistry and process development.

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

Quality Control

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   2.0555
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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