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CS-W001157 4
Total: USD 88.00

(2-Cyano-4-fluorophenyl)boronic acid

  • CAS No. 876601-43-3

  • Cat. No. CS-W006342
  • Purity≥95%
  • MDL No.MFCD12546526

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

(2-Cyano-4-fluorophenyl)boronic acid|CS-W006342

Structure of 876601-43-3

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General Information

  • CAS No. 876601-43-3
  • Cat. No. CS-W006342
  • Purity ≥95%
  • MDL No. MFCD12546526
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BFNO₂
  • Molecular Weight None
  • Synonym(s) Boronic acid, B-(2-cyano-4-fluorophenyl)-
  • SMILES OB(O)C1=C(C=C(F)C=C1)C#N

Description

(2-Cyano-4-fluorophenyl)boronic acid features a dual functional handle: a boronic acid group enabling reliable Suzuki-Miyaura coupling and a para-fluorine substituent that enhances electrophilicity for selective cross-coupling. The cyano group imparts electron-withdrawing character, improving stability and reactivity under standard conditions. This combination enables efficient integration into complex heterocycles and pharmaceutical scaffolds.

Application

(2-Cyano-4-fluorophenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl scaffolds under mild conditions. The cyano and fluorine substituents provide orthogonal functionalization potential and enhance metabolic stability in medicinal chemistry applications. Its bench-stable nature and compatibility with diverse reaction partners facilitate straightforward purification and scalability.

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

Quality Control

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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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