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Atomfair Potassium n-pentyltrifluoroborate C5H11BF3K CAS 872054-60-9

Potassium n-pentyltrifluoroborate (CAS No. 872054-60-9) is a high-purity organoboron compound with the molecular formula C5H11BF3K . This potassium salt of n-pentyltrifluoroborate is a stable, air-sensitive reagent widely used in cross-coupling reactions, particularly in Suzuki-Miyaura couplings, due to its excellent reactivity and selectivity. Its IUPAC name, potassium;trifluoro(pentyl)boranuide , reflects its structural composition, featuring a pentyl group attached to a trifluoroborate anion balanced by a potassium cation. This compound is supplied as a white to off-white crystalline powder, typically stored under inert conditions to maintain stability. With a molecular weight of 186.05 g/mol, it is soluble in polar organic solvents such as…

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Description

Potassium n-pentyltrifluoroborate (CAS No. 872054-60-9) is a high-purity organoboron compound with the molecular formula C5H11BF3K. This potassium salt of n-pentyltrifluoroborate is a stable, air-sensitive reagent widely used in cross-coupling reactions, particularly in Suzuki-Miyaura couplings, due to its excellent reactivity and selectivity. Its IUPAC name, potassium;trifluoro(pentyl)boranuide, reflects its structural composition, featuring a pentyl group attached to a trifluoroborate anion balanced by a potassium cation. This compound is supplied as a white to off-white crystalline powder, typically stored under inert conditions to maintain stability. With a molecular weight of 186.05 g/mol, it is soluble in polar organic solvents such as THF, DMF, and DMSO, making it ideal for homogeneous catalytic systems. Researchers and synthetic chemists value this reagent for its robustness in forming C-C bonds under mild conditions, enabling the synthesis of complex organic frameworks.

Properties

  • CAS Number: 872054-60-9
  • Complexity: 73.8
  • IUPAC Name: potassium;trifluoro(pentyl)boranuide
  • InChI: InChI=1S/C5H11BF3.K/c1-2-3-4-5-6(7,8)9;/h2-5H2,1H3;/q-1;+1
  • InChI Key: HTXMOWLWJFBKNN-UHFFFAOYSA-N
  • Exact Mass: 178.0542965
  • Molecular Formula: C5H11BF3K
  • Molecular Weight: 178.05
  • SMILES: [B-](CCCCC)(F)(F)F.[K+]
  • Monoisotopic Mass: 178.0542965
  • Synonyms: 872054-60-9, POTASSIUM N-PENTYLTRIFLUOROBORATE, 686-998-4, N-PENTYLTRIFLUOROBORATE POTASSIUM SALT, POTASSIUM TRIFLUORO(PENTYL)BORATE, potassium;trifluoro(pentyl)boranuide, POTASSIUM TRIFLUORO(PENTYL)BORANUIDE, MFCD07368249, SCHEMBL1825697, AKOS013014535, POTASSIUMTRIFLUORO(PENTYL)BORATE, AB31994, AS-63517, CS-0187614, D93585, EN300-206192

Application

Potassium n-pentyltrifluoroborate is primarily employed in palladium-catalyzed Suzuki-Miyaura cross-coupling reactions, facilitating the formation of carbon-carbon bonds between aryl/vinyl halides and alkyl/aryl boronic acids. Its stability and controlled reactivity make it suitable for synthesizing pharmaceuticals, agrochemicals, and advanced materials. The compound is also used in ligand design and organometallic catalysis, where its trifluoroborate moiety enhances reaction efficiency. Additionally, it serves as a precursor for modifying boron-containing polymers and nanomaterials.

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 (100%): 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. 2A (100%)
  • STOT SE 3 (100%)

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Disclaimer

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  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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