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CS-W001157 4
Total: USD 88.00

(3-Cyano-2-fluorophenyl)boronic acid

  • CAS No. 957121-05-0

  • Cat. No. CS-W008314
  • Purity≥98%
  • MDL No.MFCD07374984

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

(3-Cyano-2-fluorophenyl)boronic acid|CS-W008314

Structure of 957121-05-0

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General Information

  • CAS No. 957121-05-0
  • Cat. No. CS-W008314
  • Purity ≥98%
  • MDL No. MFCD07374984
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BFNO₂
  • Molecular Weight 164.93
  • Synonym(s) boronic acid, B-(3-cyano-2-fluorophenyl)-
  • SMILES FC1=C(C#N)C=CC=C1B(O)O

Description

(3-Cyano-2-fluorophenyl)boronic acid features a strategically positioned cyano group and fluorine atom that enhance electronic effects and metabolic stability. This boronic acid integrates efficiently into Suzuki-Miyaura coupling reactions, delivering functionalized biaryls with high fidelity under standard conditions.

Application

(3-Cyano-2-fluorophenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient C–C bond formation under mild conditions. The ortho-fluoro and cyano groups provide strong electronic modulation and enhance coupling efficiency, while the boronic acid moiety offers excellent bench stability and compatibility with diverse reaction substrates. Its functional group tolerance facilitates access to complex aromatic scaffolds relevant to medicinal chemistry and materials science.

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-H319
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   64.25
  • LogP   -0.62282
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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