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4-Nitro-2-(trifluoromethyl)phenylboronic acid

  • CAS No. 408359-15-9

  • Cat. No. CS-0178342
  • Purity≥97%
  • MDL No.None

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

4-Nitro-2-(trifluoromethyl)phenylboronic acid|CS-0178342

Structure of 408359-15-9

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General Information

  • CAS No. 408359-15-9
  • Cat. No. CS-0178342
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BF₃NO₄
  • Molecular Weight 234.93
  • Synonym(s) Boronic acid, [4-nitro-2-(trifluoromethyl)phenyl]- (9CI)
  • SMILES OB(C1=CC=C([N+]([O-])=O)C=C1C(F)(F)F)O

Description

4-Nitro-2-(trifluoromethyl)phenylboronic acid features a para-nitro group and ortho-trifluoromethyl substituent that enhance electronic withdrawal, enabling efficient Suzuki-Miyaura coupling under mild conditions. This bench-stable boronic acid integrates readily into complex molecular architectures with high functional group tolerance.

Application

4-Nitro-2-(trifluoromethyl)phenylboronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl scaffolds under mild conditions. The nitro and trifluoromethyl groups provide orthogonal reactivity and enhanced electronic modulation, while the boronic acid functionality offers excellent bench stability and compatibility with diverse reaction partners. Its predictable coupling behavior and ease of purification make it a practical choice for medicinal chemistry and materials synthesis workflows.

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   83.6
  • LogP   0.2934
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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