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CS-W001157 4
Total: USD 88.00

2-Bromo-5-fluoro-1,3-dimethylbenzene

  • CAS No. 14659-58-6

  • Cat. No. CS-W018671
  • Purity≥97%
  • MDL No.None

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

2-Bromo-5-fluoro-1,3-dimethylbenzene|CS-W018671

Structure of 14659-58-6

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General Information

  • CAS No. 14659-58-6
  • Cat. No. CS-W018671
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BrF
  • Molecular Weight 203.05
  • Synonym(s) 4-Fluoro-2,6-Dimethylbromobenzene
  • SMILES CC1=C(Br)C(C)=CC(F)=C1

Description

2-Bromo-5-fluoro-1,3-dimethylbenzene features a uniquely substituted aromatic core with bromo and fluoro groups positioned meta to each other, flanked by methyl substituents at the 1 and 3 positions. This electronic and steric profile enables selective coupling reactions in pharmaceutical synthesis, particularly in palladium-catalyzed cross-coupling processes where controlled reactivity is essential.

Application

2-Bromo-5-fluoro-1,3-dimethylbenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The bromine center facilitates efficient Suzuki, Stille, or Negishi coupling, while the fluorine and methyl groups provide electronic modulation and steric control. Bench-stable and readily purified by column chromatography, it functions reliably in multi-step syntheses requiring selective functionalization.

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   0
  • LogP   3.20504
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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