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CS-W001157 4
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(2-Methyl-5-(trifluoromethyl)phenyl)boronic acid

  • CAS No. 947533-96-2

  • Cat. No. CS-0175769
  • Purity≥96%
  • MDL No.None

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

(2-Methyl-5-(trifluoromethyl)phenyl)boronic acid|CS-0175769

Structure of 947533-96-2

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General Information

  • CAS No. 947533-96-2
  • Cat. No. CS-0175769
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BF₃O₂
  • Molecular Weight 203.95
  • Synonym(s) 2-Methyl-5-(trifluoromethyl)phenylboronic acid
  • SMILES CC1=C(B(O)O)C=C(C(F)(F)F)C=C1

Description

This boronic acid features a sterically hindered aryl group with a trifluoromethyl substituent, enhancing stability and solubility in organic media. The electron-deficient ring facilitates efficient Suzuki-Miyaura coupling under standard conditions, enabling reliable C–C bond formation in complex molecule synthesis.

Application

(2-Methyl-5-(trifluoromethyl)phenyl)boronic acid is a stable, bench-ready boronic acid that facilitates Suzuki-Miyaura cross-coupling reactions with high efficiency. It serves as a valuable building block for constructing biaryl scaffolds in medicinal chemistry and materials science, offering excellent functional group tolerance and ease of purification. Its trifluoromethyl and methyl substituents enhance metabolic stability and lipophilicity, making it particularly useful in the synthesis of advanced API intermediates and heterocyclic systems.

Safety Information

Download SDS
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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