2,3,6-Trifluorophenylboronic acid

Base Information

• Chemical Name: 2,3,6-Trifluorophenylboronic acid
• CAS No.: 247564-71-2
• Molecular Formula: C₆H₄BF₃O₂
• Molecular Weight: 175.903
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID10400092
• Nikkaji Number: J3.298.777J
• Wikidata: Q72513237
• Mol file: 247564-71-2.mol

Synonyms:2,3,6-Trifluorophenylboronic acid;247564-71-2;(2,3,6-trifluorophenyl)boronic Acid;2,3,6-Trifluorobenzeneboronic acid;MFCD01863167;BORONIC ACID, B-(2,3,6-TRIFLUOROPHENYL)-;SCHEMBL1364743;DTXSID10400092;IWPDDRPLEKURGG-UHFFFAOYSA-N;AMY13301;BCP23042;AKOS015855985;AC-5388;FS-4019;SY022308;CS-0007599;FT-0644114;EN300-253490

Chemical Property of 2,3,6-Trifluorophenylboronic acid

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 0.0036mmHg at 25°C
• Melting Point: 221 °C (dec.)(lit.)
• Refractive Index: 1.465
• Boiling Point: 266 °C at 760 mmHg
• PKA: 7.09±0.58(Predicted)
• Flash Point: 114.6 °C
• PSA: 40.46000
• Density: 1.44 g/cm³
• LogP: -0.21630
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 176.0256440
• Heavy Atom Count: 12
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

2,3,6-Trifluorophenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C=CC(=C1F)F)F)(O)O
• Uses: Reactant for:Synthesis of C-6 hydroxy tricyclic sulfone as a γ-secretase inhibitor via Suzuki coupling reactionPalladium catalyzed Suzuki-Miyaura coupling reactions