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CS-W001157 4
Total: USD 88.00

Boronic acid, B-[3-fluoro-4-(trifluoromethyl)phenyl]-

  • CAS No. 864759-68-2

  • Cat. No. CS-0031360
  • Purity≥98%
  • MDL No.MFCD08706261

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

Boronic acid, B-[3-fluoro-4-(trifluoromethyl)phenyl]-|CS-0031360

Structure of 864759-68-2

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General Information

  • CAS No. 864759-68-2
  • Cat. No. CS-0031360
  • Purity ≥98%
  • MDL No. MFCD08706261
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BF₄O₂
  • Molecular Weight 207.92
  • Synonym(s) 3-FLUORO-4-TRIFLUOROMETHYLPHENYLBORONIC ACID
  • SMILES FC(F)(F)C1=CC=C(C=C1F)B(O)O

Description

This boronic acid features a trifluoromethyl group flanked by fluorine substitution, enhancing electron deficiency and stability. It integrates readily into Suzuki-Miyaura cross-coupling reactions under standard conditions, delivering arylated products with high fidelity. The ortho-fluoro substitution facilitates selective functionalization in complex molecular architectures.

Application

(3-Fluoro-4-(trifluoromethyl)phenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl scaffolds with enhanced metabolic stability and lipophilicity. The trifluoromethyl group imparts favorable electronic and steric properties, while the fluorine substituent supports orthogonal reactivity. Its bench-stable nature and compatibility with diverse reaction conditions facilitate straightforward purification and integration into complex molecular architectures.

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   0.5243
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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