Description

Potassium trifluoro(1-methyl-1H-pyrazol-5-yl)borate (CAS: 1258323-45-3) is a highly specialized organoboron compound with the molecular formula C₄H₅BF₃KN₂. This potassium salt of a trifluoroborate-substituted pyrazole derivative is a valuable reagent for synthetic organic chemistry, particularly in cross-coupling reactions and as a precursor for boron-containing scaffolds. Its IUPAC name, potassium;trifluoro-(2-methylpyrazol-3-yl)boranuide, reflects its precise chemical structure. The compound is supplied as a high-purity solid, ideal for research applications requiring consistent reactivity. Proper storage under inert conditions is recommended to maintain stability.

Properties

• CAS Number: 1258323-45-3
• Complexity: 131
• IUPAC Name: potassium;trifluoro-(2-methylpyrazol-3-yl)boranuide
• InChI: InChI=1S/C4H5BF3N2.K/c1-10-4(2-3-9-10)5(6,7)8;/h2-3H,1H3;/q-1;+1
• InChI Key: UJQYAMWDUIKNDK-UHFFFAOYSA-N
• Exact Mass: 188.0134943
• Molecular Formula: C4H5BF3KN2
• Molecular Weight: 188.00
• SMILES: [B-](C1=CC=NN1C)(F)(F)F.[K+]
• Topological: 17.8
• Monoisotopic Mass: 188.0134943
• Synonyms: Potassium trifluoro(1-methyl-1H-pyrazol-5-yl)borate, 1258323-45-3, potassium 1-methyl-1h-pyrazole-5-trifluoroborate, potassium;trifluoro-(2-methylpyrazol-3-yl)boranuide, SCHEMBL17315555, MFCD19620590, AKOS013277263, AS-82380, CS-0151218, D83490, EN300-6278216, Potassiumtrifluoro(1-methyl-1H-pyrazol-5-yl)borate, Potassium 1-methyl-1H-pyrazole-5-trifluoroborate, 95%, potassium trifluoro(1-methyl-1H-pyrazol-5-yl)boranuide

Application

This compound is primarily used as a reagent in Suzuki-Miyaura cross-coupling reactions, enabling the formation of carbon-carbon bonds in complex organic syntheses. It serves as a stable trifluoroborate precursor for pyrazole-based ligands in catalysis and medicinal chemistry. Researchers also employ it in the development of boron-containing pharmaceuticals and agrochemicals due to its unique reactivity profile.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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