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CS-W001157 4
Total: USD 88.00

3-Cyano-5-fluorobenzeneboronic acid

  • CAS No. 304858-67-1

  • Cat. No. CS-W001064
  • Purity≥98%
  • MDL No.MFCD09263608

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

3-Cyano-5-fluorobenzeneboronic acid|CS-W001064

Structure of 304858-67-1

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General Information

  • CAS No. 304858-67-1
  • Cat. No. CS-W001064
  • Purity ≥98%
  • MDL No. MFCD09263608
  • 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, (3-cyano-5-fluorophenyl)- (9CI)
  • SMILES OB(C1=CC(F)=CC(C#N)=C1)O

Description

3-Cyano-5-fluorobenzeneboronic acid features a boronic acid group flanked by electron-withdrawing cyano and fluorine substituents, enhancing its stability and reactivity in Suzuki-Miyaura coupling. This combination enables efficient cross-coupling under mild conditions, delivering arylated products with high fidelity. The molecule's bench-stable nature simplifies handling and storage.

Application

3-Cyano-5-fluorobenzeneboronic acid serves as a versatile building block in Suzuki-Miyaura coupling reactions, enabling efficient construction of biaryl scaffolds with enhanced electronic and metabolic stability. The ortho-cyano and meta-fluoro substituents provide complementary reactivity and orthogonal functionalization potential, while the boronic acid group offers excellent bench stability and ease of purification. Its compatibility with diverse reaction conditions makes it a reliable reagent for medicinal chemistry and materials synthesis.

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

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