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CS-W001157 4
Total: USD 88.00

1-Bromo-2-methyl-4-(trifluoromethoxy)benzene

  • CAS No. 261951-96-6

  • Cat. No. CS-0059177
  • Purity≥96%
  • MDL No.MFCD01631545

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

1-Bromo-2-methyl-4-(trifluoromethoxy)benzene|CS-0059177

Structure of 261951-96-6

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General Information

  • CAS No. 261951-96-6
  • Cat. No. CS-0059177
  • Purity ≥96%
  • MDL No. MFCD01631545
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrF₃O
  • Molecular Weight 255.03
  • Synonym(s) 2-Bromo-5-(trifluoromethoxy)toluene
  • SMILES FC(F)(F)OC1=CC=C(Br)C(C)=C1

Description

1-Bromo-2-methyl-4-(trifluoromethoxy)benzene features a trifluoromethoxy group flanked by bromo and methyl substituents on a benzene ring, enabling efficient cross-coupling reactions. This electron-deficient aryl halide integrates readily into complex molecular architectures under standard conditions.

Application

1-Bromo-2-methyl-4-(trifluoromethoxy)benzene serves as a versatile building block in cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl architectures. The bromine moiety facilitates palladium-catalyzed coupling with boronic acids, esters, and organozinc reagents under standard conditions. The trifluoromethoxy group imparts enhanced metabolic stability and lipophilicity, while the methyl substituent provides steric and electronic modulation—ideal for medicinal chemistry applications requiring balanced physicochemical properties.

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   9.23
  • LogP   3.65612
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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