Cas no 850623-42-6 (Potassium (3-Methylphenyl)trifluoroborate)

Potassium (3-Methylphenyl)trifluoroborate is an organoboron compound commonly employed as a stable and versatile reagent in Suzuki-Miyaura cross-coupling reactions. Its trifluoroborate moiety enhances hydrolytic stability compared to boronic acids, facilitating handling and storage under ambient conditions. The 3-methylphenyl group serves as a useful aryl building block in pharmaceutical and materials science applications. This reagent exhibits good solubility in polar organic solvents, ensuring efficient reactivity in coupling reactions while minimizing side products. Its crystalline solid form allows for precise weighing and consistent performance. The compound is particularly valued for its compatibility with mild reaction conditions and broad functional group tolerance, making it a reliable choice for complex synthetic transformations.
Potassium (3-Methylphenyl)trifluoroborate structure
850623-42-6 structure
Product Name:Potassium (3-Methylphenyl)trifluoroborate
CAS No:850623-42-6
MF:C7H7BF3K
MW:198.03499341011
MDL:MFCD04115739
CID:716974
PubChem ID:23716870
Update Time:2025-10-16

Potassium (3-Methylphenyl)trifluoroborate Chemical and Physical Properties

Names and Identifiers

    • Borate(1-),trifluoro(3-methylphenyl)-, potassium (1:1), (T-4)-
    • Potassium 3-methylphenyltrifluoroborate
    • POTASSIUM (3-METHYLPHENY)TRIFLUOROBORATE
    • Potassium (3-methylphenyl)trifluoroborate
    • Potassium m-tolyltrifluoroborate
    • potassium trifluoro(3-methylphenyl)borate(1-)
    • potassium,trifluoro-(3-methylphenyl)boranuide
    • Potassium m-tolyltrifluoroborate, 97%
    • AB20504
    • POTASSIUM TRIFLUORO(3-METHYLPHENYL)BORANUIDE
    • AS-2580
    • EN300-1253170
    • Potassium trifluoro(m-tolyl)borate
    • MFCD04115739
    • AKOS005255025
    • DTXSID40635799
    • N12013
    • 850623-42-6
    • Potassium(3-methylphenyl)trifluoroborate
    • potassium;trifluoro-(3-methylphenyl)boranuide
    • Potassium (3-Methylphenyl)trifluoroborate
    • MDL： MFCD04115739
    • Inchi： 1S/C7H7BF3.K/c1-6-3-2-4-7(5-6)8(9,10)11;/h2-5H,1H3;/q-1;+1
    • InChI Key： FRGRQMARQLLUEM-UHFFFAOYSA-N
    • SMILES： [K+].F[B-](C1C=CC=C(C)C=1)(F)F

Computed Properties

  • Exact Mass: 198.02300
  • Monoisotopic Mass: 198.023
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 137
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 0A^2

Experimental Properties

  • Density: Not available
  • Melting Point: 243-248?°C
  • Boiling Point: Not available
  • Flash Point: Not available
  • PSA: 0.00000
  • LogP: 2.04940
  • Vapor Pressure: Not available

Potassium (3-Methylphenyl)trifluoroborate Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H315-H319-H335
  • Warning Statement： P261-P305+P351+P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： 26-36
  • Hazardous Material Identification： Xi
  • Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

Potassium (3-Methylphenyl)trifluoroborate Pricemore >>

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