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CS-W001157 4
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(4-Methyl-3-(trifluoromethyl)phenyl)boronic acid

  • CAS No. 947533-94-0

  • Cat. No. CS-W021107
  • Purity≥98%
  • MDL No.MFCD11042431

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

(4-Methyl-3-(trifluoromethyl)phenyl)boronic acid|CS-W021107

Structure of 947533-94-0

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General Information

  • CAS No. 947533-94-0
  • Cat. No. CS-W021107
  • Purity ≥98%
  • MDL No. MFCD11042431
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BF₃O₂
  • Molecular Weight 203.95
  • Synonym(s) 4-Methyl-3-trifluoromethyl-phenylboronic acid
  • SMILES FC(C1=CC(B(O)O)=CC=C1C)(F)F

Description

This boronate reagent features a sterically accessible aryl group with a trifluoromethyl substituent, enhancing electronic effects and stability. It integrates efficiently into Suzuki-Miyaura cross-coupling reactions under standard conditions, delivering robust yields with minimal protodeboronation.

Application

(4-Methyl-3-(trifluoromethyl)phenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl scaffolds under mild conditions. Its trifluoromethyl and methyl substituents enhance metabolic stability and modulate electronic properties, making it particularly valuable for medicinal chemistry applications. The boronic acid functionality offers excellent bench stability, tolerates common functional groups, and facilitates straightforward purification—key attributes for scalable synthesis and high-throughput screening workflows.

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   40.46
  • LogP   0.69362
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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