Atomfair Borate(1-), trifluoromethyl-, potassium, (T-4)- Potassium Methyltrifluoroborate CH3BF3K CAS 13862-28-7

Description

Potassium Trifluoro(methyl)borate (CAS No. 13862-28-7) is a highly specialized organoboron compound with the molecular formula CH3BF3K. This crystalline salt is widely utilized in advanced synthetic chemistry applications due to its stability and reactivity as a trifluoroborate reagent. As an air-stable, non-hygroscopic solid, it offers exceptional handling advantages over boronic acids. The compound is characterized by its (T-4)- tetrahedral coordination geometry, ensuring consistent performance in cross-coupling reactions. Our product is synthesized to ≥98% purity (HPLC) with rigorous QC testing including NMR and elemental analysis. Available in research (5g, 25g) and bulk quantities (100g, 1kg) with customizable packaging under inert atmosphere. Technical datasheet includes detailed ¹¹B/¹⁹F NMR spectra and solubility profiles in common organic solvents (THF, DMF, DMSO).

Properties

• CAS Number: 13862-28-7
• Complexity: 32.3
• IUPAC Name: potassium;trifluoro(methyl)boranuide
• InChI: InChI=1S/CH3BF3.K/c1-2(3,4)5;/h1H3;/q-1;+1
• InChI Key: XMQFVHVGFQJMFF-UHFFFAOYSA-N
• Exact Mass: 121.9916962
• Molecular Formula: CH3BF3K
• Molecular Weight: 121.94
• SMILES: [B-](C)(F)(F)F.[K+]
• Monoisotopic Mass: 121.9916962
• Synonyms: Potassium trifluoro(methyl)borate, Borate(1-), trifluoromethyl-, potassium, (T-4)-, 878-817-4, Potassium methyltrifluoroborate, 13862-28-7, potassium;trifluoro(methyl)boranuide, MFCD08276757, potassium trifluoro(methyl)boranuide, Borate(1-), trifluoromethyl-, potassium, (T-4)- (9CI), potassium,trifluoro(methyl)boranuide, SCHEMBL7851, DTXSID60635655, XMQFVHVGFQJMFF-UHFFFAOYSA-N, methyltrifluoroborate potassium salt, AKOS013013506, Potassium trifluoro(methyl)borate(1-), CS-W005601, AS-17912, SY021937, P1478, EN300-1253002

Application

Potassium trifluoro(methyl)borate serves as a key reagent in Suzuki-Miyaura cross-coupling reactions for constructing C-C bonds in pharmaceutical intermediates. Its enhanced stability compared to boronic acids makes it ideal for multi-step synthesis of agrochemicals and OLED materials. The compound is particularly valuable in radiolabeling applications where the trifluoroborate moiety improves metabolic stability.

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 (66.7%): 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 (66.7%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.