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CS-W001157 4
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2-Bromo-1-fluoro-3-methylbenzene

  • CAS No. 59907-13-0

  • Cat. No. CS-W008540
  • Purity≥95%
  • MDL No.MFCD08458010

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

2-Bromo-1-fluoro-3-methylbenzene|CS-W008540

Structure of 59907-13-0

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General Information

  • CAS No. 59907-13-0
  • Cat. No. CS-W008540
  • Purity ≥95%
  • MDL No. MFCD08458010
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BrF
  • Molecular Weight 189.02
  • Synonym(s) 2-Bromo-3-fluorotoluene
  • SMILES CC1=C(Br)C(F)=CC=C1

Description

2-Bromo-1-fluoro-3-methylbenzene features a strategically positioned bromine and fluorine substituent on a methylated benzene ring, enabling selective cross-coupling reactions. This ortho-halogenated scaffold delivers enhanced reactivity in palladium-catalyzed transformations while maintaining stability under standard conditions.

Application

2-Bromo-1-fluoro-3-methylbenzene serves as a versatile building block in cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl scaffolds. Its orthogonal halogen reactivity—where bromine undergoes palladium-catalyzed coupling while fluorine remains inert—facilitates sequential functionalization. The methyl group enhances solubility and provides a handle for further derivatization, while the molecule exhibits excellent bench stability and ease of purification, making it well-suited for iterative synthesis in medicinal chemistry and materials science workflows.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-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   0
  • LogP   2.89662
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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