potassium (2,4-difluorophenyl)trifluoroboranuide

• ChemBase ID: 142426
• Molecular Formular: C6H3BF5K
• Molecular Mass: 219.989336
• Monoisotopic Mass: 219.98850328
• SMILES: [B-](c1ccc(cc1F)F)(F)(F)F.[K+]
• Canonical SMILES: Fc1ccc(c(c1)F)[B-](F)(F)F.[K+]
• InChI: InChI=1S/C6H3BF5.K/c8-4-1-2-5(6(9)3-4)7(10,11)12;/h1-3H;/q-1;+1
• InChIKey: HZKKNPYRMYVEOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (2,4-difluorophenyl)trifluoroboranuide
• IUPAC Traditional name: potassium (2,4-difluorophenyl)trifluoroboranuide
• Synonyms: Potassium 2,4-difluorophenyltrifluoroborate; 2,4-二氟苯基三氟硼酸钾

Database IDs

• CAS Number: 871231-41-3
• MDL Number: MFCD07784375
• PubChem SID: 24884253; 162236656
• PubChem CID: 23697340

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4087
• LogD (pH = 7.4): 2.4087
• Log P: 2.4087
• Molar Refractivity: 30.411 cm^3
• Polarizability: 11.740826 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C6H3BF5K

DETAILS

Sigma Aldrich - 656992

Packaging
1, 5 g in poly bottle
Protocols & Applications
Suzuki Cross-Coupling using Organotrifluoroborates as Potent Boronic Acid Surrogates