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1-Bromo-5-chloro-3-fluoro-2-methylbenzene

  • CAS No. 1082040-50-3

  • Cat. No. CS-0145786
  • Molecule weight223.47
  • Purity≥97%
  • MDL No.MFCD11845453

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

1-Bromo-5-chloro-3-fluoro-2-methylbenzene|CS-0145786

Structure of 1082040-50-3

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General Information

  • CAS No. 1082040-50-3
  • Cat. No. CS-0145786
  • Purity ≥97%
  • MDL No. MFCD11845453
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrClF
  • Molecular Weight 223.47
  • Synonym(s) 2-Bromo-4-chloro-6-fluorotoluene
  • SMILES CC1=C(F)C=C(Cl)C=C1Br

Description

1-Bromo-5-chloro-3-fluoro-2-methylbenzene features a densely functionalized aromatic ring with halogen and methyl substituents positioned for orthogonal reactivity. The bromine site enables palladium-catalyzed cross-coupling, while the chloro and fluoro groups offer complementary handles for selective transformations. This electron-deficient aryl halide demonstrates enhanced stability under standard bench conditions, facilitating integration into complex synthetic sequences.

Application

1-Bromo-5-chloro-3-fluoro-2-methylbenzene serves as a versatile building block for the synthesis of functionalized aromatic scaffolds. The ortho-methyl group enables directed metallation, while the strategically positioned halogens (Br, Cl, F) support sequential cross-coupling reactions. Its bench-stable nature and compatibility with Pd-catalyzed transformations facilitate efficient access to substituted biaryls and heterocycles in medicinal chemistry and materials science applications.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.55002
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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