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Total: USD 88.00

(2-Methyl-4-(trifluoromethyl)phenyl)boronic acid

  • CAS No. 957034-45-6

  • Cat. No. CS-0086797
  • Purity≥97%
  • MDL No.MFCD08689550

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

(2-Methyl-4-(trifluoromethyl)phenyl)boronic acid|CS-0086797

Structure of 957034-45-6

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General Information

  • CAS No. 957034-45-6
  • Cat. No. CS-0086797
  • Purity ≥97%
  • MDL No. MFCD08689550
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BF₃O₂
  • Molecular Weight 203.95
  • Synonym(s) boronic acid, B-[2-methyl-4-(trifluoromethyl)phenyl]-
  • SMILES OB(C1=CC=C(C(F)(F)F)C=C1C)O

Description

This boronic acid features a trifluoromethyl group that enhances electron deficiency and metabolic stability, enabling efficient Suzuki-Miyaura coupling under standard conditions. The ortho-methyl substituent improves solubility and reduces protodeboronation, offering robust performance in synthetic transformations.

Application

(2-Methyl-4-(trifluoromethyl)phenyl)boronic acid serves as a versatile building block in palladium-catalyzed cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl architectures. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the boronic acid functionality offers excellent bench stability and compatibility with standard Suzuki-Miyaura coupling protocols. The methyl substituent provides steric control and modulates electronic properties, making it particularly valuable for medicinal chemistry and materials science applications requiring targeted molecular diversity.

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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