Description

Potassium Butyltrifluoroborate (CAS No. 444343-55-9) is a highly specialized organoboron compound with the molecular formula C₄H₉BF₃K. This reagent is widely utilized in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, due to its stability and reactivity under mild conditions. The compound features a butyl group attached to a trifluoroborate anion, balanced by a potassium counterion, ensuring excellent solubility in polar solvents such as water and alcohols. With a purity of ≥95%, it is an essential tool for researchers and scientists working in pharmaceuticals, agrochemicals, and materials science. Each batch is rigorously tested via NMR, HPLC, and elemental analysis to guarantee consistency and performance.

Available in convenient packaging options (1g, 5g, 10g, 25g), this product is stored under inert conditions to maintain stability. Its moisture-sensitive nature requires handling under anhydrous environments. Synonyms include Potassium butyl(trifluoro)borate(1-) and MFCD08276805, as listed in major chemical databases (e.g., PubChem, Reaxys).

Properties

• CAS Number: 444343-55-9
• Complexity: 63.3
• IUPAC Name: potassium;butyl(trifluoro)boranuide
• InChI: InChI=1S/C4H9BF3.K/c1-2-3-4-5(6,7)8;/h2-4H2,1H3;/q-1;+1
• InChI Key: XLHVTQCFJZFJSN-UHFFFAOYSA-N
• Exact Mass: 164.0386464
• Molecular Formula: C4H9BF3K
• Molecular Weight: 164.02
• SMILES: [B-](CCCC)(F)(F)F.[K+]
• Monoisotopic Mass: 164.0386464
• Synonyms: Potassium butyltrifluoroborate, 626-823-0, 444343-55-9, potassium butyltrifluoroboranuide, potassium;butyl(trifluoro)boranuide, MFCD08276805, POTASSIUMBUTYLTRIFLUOROBORATE, Potassium butyl(trifluoro)borate(1-), C4H9BF3K, SCHEMBL909878, DTXSID10635665, AKOS013013708, AS-82856, SY223913, CS-0187609, P2626, H12032, EN300-1253016

Potassium Butyltrifluoroborate serves as a key intermediate in palladium-catalyzed cross-coupling reactions, enabling the formation of carbon-carbon bonds in complex organic molecules. Its air- and moisture-stable properties make it preferable over traditional boronic acids for streamlined synthesis. Applications extend to drug discovery, where it facilitates the modular assembly of aryl-alkyl frameworks. Additionally, it is employed in material science for designing advanced polymers and ligands.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)

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