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CS-W001157 4
Total: USD 88.00

Potassium trifluoro(4-nitrophenyl)borate

  • CAS No. 850623-71-1

  • Cat. No. CS-W010394
  • Purity≥95%
  • MDL No.MFCD04115766

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

Potassium trifluoro(4-nitrophenyl)borate|CS-W010394

Structure of 850623-71-1

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General Information

  • CAS No. 850623-71-1
  • Cat. No. CS-W010394
  • Purity ≥95%
  • MDL No. MFCD04115766
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄BF₃KNO₂
  • Molecular Weight 229.01
  • Synonym(s) Potassium(4-Nitrophenyl)Trifluoroborate
  • SMILES O=[N+](C1=CC=C([B-](F)(F)F)C=C1)[O-].[K+]

Description

Potassium trifluoro(4-nitrophenyl)borate delivers a stabilized, electron-deficient boronate moiety for cross-coupling reactions. The para-nitro group enhances reactivity while improving solubility in polar solvents. This bench-stable reagent enables efficient Suzuki-Miyaura coupling under mild conditions, streamlining synthesis of functionalized aryl compounds.

Application

Potassium trifluoro(4-nitrophenyl)borate serves as a stable, bench-ready boron source for Suzuki-Miyaura cross-coupling reactions. Its trifluoroborate moiety enables efficient palladium-catalyzed coupling with aryl halides and pseudohalides, offering high functional group tolerance and predictable reactivity. The 4-nitrophenyl group enhances solubility and facilitates purification, making it ideal for iterative synthesis of complex biaryls and pharmaceutical intermediates.

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   43.14
  • LogP   -1.3468
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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