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CS-W001157 4
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2-Bromo-6-fluorobenzoic acid

  • CAS No. 2252-37-1

  • Cat. No. CS-W002789
  • Purity≥98%
  • MDL No.MFCD01569539

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

2-Bromo-6-fluorobenzoic acid|CS-W002789

Structure of 2252-37-1

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General Information

  • CAS No. 2252-37-1
  • Cat. No. CS-W002789
  • Purity ≥98%
  • MDL No. MFCD01569539
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrFO₂
  • Molecular Weight 219.01
  • Synonym(s) Benzoic acid, 2-bromo-6-fluoro-
  • SMILES OC(=O)c1c(F)cccc1Br

Description

2-Bromo-6-fluorobenzoic acid features a strategically positioned bromine and fluorine substituent on the aromatic ring, enabling selective functionalization in pharmaceutical synthesis. The carboxylic acid group provides a reactive handle for coupling reactions, while the electron-withdrawing halogens enhance regioselectivity. This compound serves as a key building block for bioactive molecules requiring halogenated aromatic scaffolds.

Application

2-Bromo-6-fluorobenzoic acid serves as a valuable building block for the synthesis of fluorinated aromatic scaffolds in medicinal chemistry and agrochemical research. Its ortho-bromine and para-fluorine substituents enable selective cross-coupling reactions, including Suzuki and Stille couplings, while the carboxylic acid group provides a handle for amide formation, esterification, or further functionalization. The compound exhibits good bench stability and facilitates straightforward purification by recrystallization, making it well-suited for scalable synthesis workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H319
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.2864
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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