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CS-W001157 4
Total: USD 88.00

2-Bromo-3-fluoro-6-nitrobenzoic acid

  • CAS No. 881415-27-6

  • Cat. No. CS-0060321
  • Molecule weight264.01
  • Purity≥97%
  • MDL No.MFCD27931341

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

2-Bromo-3-fluoro-6-nitrobenzoic acid|CS-0060321

Structure of 881415-27-6

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General Information

  • CAS No. 881415-27-6
  • Cat. No. CS-0060321
  • Purity ≥97%
  • MDL No. MFCD27931341
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃BrFNO₄
  • Molecular Weight 264.01
  • Synonym(s) 2-bromo-3-fluoro-6-nitro-benzoic acid
  • SMILES C1=CC(=C(C(=C1F)Br)C(=O)O)[N+](=O)[O-]

Description

2-Bromo-3-fluoro-6-nitrobenzoic acid features a highly functionalized aromatic core with complementary halogen and nitro groups enabling precise downstream derivatization. The carboxylic acid moiety provides a robust anchor point for coupling reactions, while the electron-withdrawing nitro group enhances reactivity in nucleophilic substitution processes. This compound serves as a key building block for bioactive molecule synthesis under standard conditions.

Application

2-Bromo-3-fluoro-6-nitrobenzoic acid serves as a versatile building block for the synthesis of substituted heterocycles and pharmaceutical intermediates. Its orthogonal halogen (Br, F) and electron-withdrawing nitro groups enable selective cross-coupling reactions and regiocontrolled functionalization. The carboxylic acid functionality facilitates derivatization and conjugation, while the compound exhibits good bench stability and ease of purification in standard organic workflows.

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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