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CS-W001157 4
Total: USD 88.00

(4-Cyano-3-(trifluoromethyl)phenyl)boronic acid

  • CAS No. 915299-32-0

  • Cat. No. CS-0113041
  • Purity≥97%
  • MDL No.MFCD10697412

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

(4-Cyano-3-(trifluoromethyl)phenyl)boronic acid|CS-0113041

Structure of 915299-32-0

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General Information

  • CAS No. 915299-32-0
  • Cat. No. CS-0113041
  • Purity ≥97%
  • MDL No. MFCD10697412
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BF₃NO₂
  • Molecular Weight 214.94
  • Synonym(s) 4-Cyano-3-(trifluoromethyl)phenylboronic acid
  • SMILES FC(C1=CC(B(O)O)=CC=C1C#N)(F)F

Description

This boronic acid features a cyano group flanked by a trifluoromethyl substituent on the phenyl ring, delivering enhanced stability and electron-withdrawing character. It integrates readily into Suzuki-Miyaura cross-coupling reactions under standard conditions, enabling efficient construction of complex heteroaromatic architectures with high functional group tolerance.

Application

(4-Cyano-3-(trifluoromethyl)phenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl architectures. Its trifluoromethyl and nitrile groups confer enhanced metabolic stability and modulated electronic properties, making it valuable for medicinal chemistry applications. The boronic acid functionality offers excellent bench stability and compatibility with diverse reaction conditions, facilitating straightforward purification and integration into complex molecular scaffolds.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   64.25
  • LogP   0.25688
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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