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CS-W001157 4
Total: USD 88.00

1-Bromo-2-fluoro-3-methyl-benzene

  • CAS No. 59907-12-9

  • Cat. No. CS-W003215
  • Purity≥98%
  • MDL No.MFCD04972694

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

1-Bromo-2-fluoro-3-methyl-benzene|CS-W003215

Structure of 59907-12-9

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General Information

  • CAS No. 59907-12-9
  • Cat. No. CS-W003215
  • Purity ≥98%
  • MDL No. MFCD04972694
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BrF
  • Molecular Weight 189.03
  • Synonym(s) 3-Bromo-2-fluorotoluene
  • SMILES Fc1c(C)cccc1Br

Description

1-Bromo-2-fluoro-3-methyl-benzene features a strategically positioned bromine, fluorine, and methyl group on a benzene ring, enabling selective cross-coupling reactions. The ortho-fluoro substituent enhances reactivity in palladium-catalyzed transformations, while the methyl group provides steric and electronic modulation. This compound serves as a key intermediate in the synthesis of functionalized aromatic systems for pharmaceutical and agrochemical applications.

Application

1-Bromo-2-fluoro-3-methylbenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions such as Suzuki-Miyaura and Negishi couplings. The ortho-fluoro and bromo substituents offer complementary reactivity for sequential functionalization, while the methyl group provides a stable, electron-donating handle. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient synthesis of complex aromatic scaffolds.

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 : H227-H302-H315-H319-H335
Precautionary Statements : P210-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P403-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.89662
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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