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CS-W001157 4
Total: USD 88.00

2-Bromo-3-fluorobenzoic acid

  • CAS No. 132715-69-6

  • Cat. No. CS-W001156
  • Purity≥96%
  • MDL No.MFCD01569398

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

2-Bromo-3-fluorobenzoic acid|CS-W001156

Structure of 132715-69-6

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General Information

  • CAS No. 132715-69-6
  • Cat. No. CS-W001156
  • Purity ≥96%
  • MDL No. MFCD01569398
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrFO₂
  • Molecular Weight 219.01
  • Synonym(s) 3-Fluoro-2-bromobenzoic acid
  • SMILES OC(=O)c1cccc(c1Br)F

Description

2-Bromo-3-fluorobenzoic acid features a strategically positioned bromine and fluorine substituent on the benzene ring, enabling selective functionalization in medicinal chemistry. This electron-deficient aromatic core integrates readily into coupling reactions, offering enhanced reactivity for scaffold diversification under standard conditions.

Application

2-Bromo-3-fluorobenzoic acid serves as a versatile building block in medicinal chemistry and materials science, enabling direct incorporation of halogenated aromatic motifs into target molecules. Its ortho-halogenated structure facilitates palladium-catalyzed cross-coupling reactions, while the carboxylic acid group offers facile derivatization for amides, esters, or heterocycle formation. Bench-stable and compatible with standard synthetic workflows, it functions reliably in multi-step synthesis and API development.

Synthesis

  • Route1

    References

    • Kawahara, Eiji; Miyake, Takahiro; Roesel, Johannes Patent: US2008/293708 A1, 2008 ; Location in patent: Page/Page column 37 ;
  • Route2

    References

    • Moyroud, Joel; Guesnet, Jean-Luc; Bennetau, Bernard; Mortier, Jacques Bulletin de la Societe Chimique de France, 1996 , vol. 133, # 2 p. 133 - 141
  • Route3

    References

    • Synthesis, , # 4 art. no. T11504SS, p. 617 - 621

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

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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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