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Methyl 4-bromo-5-fluoro-2-hydroxybenzoate

  • CAS No. 1193162-25-2

  • Cat. No. CS-0061825
  • Molecule weight249.03
  • Purity≥98%
  • MDL No.MFCD23701539

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

Methyl 4-bromo-5-fluoro-2-hydroxybenzoate|CS-0061825

Structure of 1193162-25-2

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General Information

  • CAS No. 1193162-25-2
  • Cat. No. CS-0061825
  • Purity ≥98%
  • MDL No. MFCD23701539
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrFO₃
  • Molecular Weight 249.03
  • Synonym(s) Methyl 4-broMo-5-fluoro-2-hydroxy-benzoate
  • SMILES O=C(OC)C1=CC(F)=C(Br)C=C1O

Description

Methyl 4-bromo-5-fluoro-2-hydroxybenzoate features a trifunctional aromatic core with orthogonal reactivity: the phenolic hydroxyl enables derivatization, the methyl ester offers a handle for reduction or cross-coupling, and the bromo- and fluoro-substituents provide complementary sites for palladium-catalyzed transformations. This scaffold integrates well into complex molecular architectures requiring precise functional group placement.

Application

Methyl 4-bromo-5-fluoro-2-hydroxybenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct functionalization at the hydroxy and carboxylate positions. Its bromo and fluoro substituents facilitate palladium-catalyzed cross-coupling reactions and modulate electronic properties. The methyl ester group provides stability and compatibility with standard synthetic transformations, while the phenolic hydroxyl allows for derivatization or protection under mild conditions.

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   46.53
  • LogP   2.0804
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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