Description

Potassium phenethyltrifluoroborate (CAS No. 329976-74-1) is a highly versatile organoboron compound with the molecular formula C₈H₉BF₃K. This white to off-white crystalline powder is widely utilized in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, due to its stability, solubility, and reactivity with various palladium catalysts. With a purity of ≥95%, it is an essential reagent for researchers and chemists working in pharmaceuticals, agrochemicals, and material science. Its trifluoroborate moiety enhances hydrolytic stability compared to traditional boronic acids, making it ideal for complex synthetic applications. Store under inert conditions at 2-8°C to ensure prolonged shelf life and optimal performance.

Properties

• CAS Number: 329976-74-1
• Complexity: 132
• IUPAC Name: potassium;trifluoro(2-phenylethyl)boranuide
• InChI: InChI=1S/C8H9BF3.K/c10-9(11,12)7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2;/q-1;+1
• InChI Key: SOZVPVAYKGJPJS-UHFFFAOYSA-N
• Exact Mass: 212.0386464
• Molecular Formula: C8H9BF3K
• Molecular Weight: 212.06
• SMILES: [B-](CCC1=CC=CC=C1)(F)(F)F.[K+]
• Monoisotopic Mass: 212.0386464
• Synonyms: Potassium phenethyltrifluoroborate, 329976-74-1, Potassium trifluoro(phenethyl)borate, potassium;trifluoro(2-phenylethyl)boranuide, MFCD09039257, POTASSIUM PHENETHYLTRIFLUOROBORATE 95, POTASSIUM TRIFLUORO(2-PHENYLETHYL)BORANUIDE, Potassium 2-phenylethyltrifluoroborate, SCHEMBL14332510, DTXSID60635695, AKOS012536456, Potassium Trifluoro(2-phenylethyl)borate, AS-62603, SY015466, DB-068731, CS-0187612, P1581, Potassium trifluoro(2-phenylethyl)borate(1-), EN300-1253161

Potassium phenethyltrifluoroborate is primarily employed in palladium-catalyzed cross-coupling reactions to form carbon-carbon bonds, a cornerstone in pharmaceutical and polymer synthesis. Its stability in aqueous and aerobic conditions simplifies handling and extends its utility in multi-step synthetic routes. Researchers value it for constructing biaryl and styrenyl derivatives, key intermediates in drug discovery. It also serves as a precursor in the development of advanced materials, including liquid crystals and OLED components.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.7%)

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