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Atomfair Potassium ethynyltrifluoroborate C2HBF3K CAS 892869-21-5

Potassium Ethynyltrifluoroborate (CAS No. 892869-21-5) is a highly versatile organoboron reagent with the molecular formula C2HBF3K . This crystalline compound, classified as a potassium trifluoroborate salt, is widely used in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions due to its stability and reactivity. Its IUPAC name, potassium;ethynyl(trifluoro)boranuide , reflects its unique structure, featuring an ethynyl group bonded to a trifluoroborate anion. With a high purity grade (>95%), this reagent is ideal for researchers and industrial chemists working on pharmaceuticals, agrochemicals, and advanced material synthesis. It is moisture-sensitive and should be stored under inert conditions to maintain stability.

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Description

Potassium Ethynyltrifluoroborate (CAS No. 892869-21-5) is a highly versatile organoboron reagent with the molecular formula C2HBF3K. This crystalline compound, classified as a potassium trifluoroborate salt, is widely used in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions due to its stability and reactivity. Its IUPAC name, potassium;ethynyl(trifluoro)boranuide, reflects its unique structure, featuring an ethynyl group bonded to a trifluoroborate anion. With a high purity grade (>95%), this reagent is ideal for researchers and industrial chemists working on pharmaceuticals, agrochemicals, and advanced material synthesis. It is moisture-sensitive and should be stored under inert conditions to maintain stability.

Properties

  • CAS Number: 892869-21-5
  • Complexity: 86.8
  • IUPAC Name: potassium;ethynyl(trifluoro)boranuide
  • InChI: InChI=1S/C2HBF3.K/c1-2-3(4,5)6;/h1H;/q-1;+1
  • InChI Key: IQENCCCNPRHCMV-UHFFFAOYSA-N
  • Exact Mass: 131.9760462
  • Molecular Formula: C2HBF3K
  • Molecular Weight: 131.94
  • SMILES: [B-](C#C)(F)(F)F.[K+]
  • Monoisotopic Mass: 131.9760462
  • Synonyms: POTASSIUM ETHYNYLTRIFLUOROBORATE, 662-936-1, 892869-21-5, potassium;ethynyl(trifluoro)boranuide, Potassium ethynyl trifluoroborate, POTASSIUM ETHYNYLTRIFLUOROBORANUIDE, MFCD10700167, C2HBF3K, SCHEMBL23577038, DTXSID60674908, POTASSIUMETHYNYLTRIFLUOROBORATE, AKOS006304409, AS-1001, Potassium ethynyl(trifluoro)borate(1-), SY067957, potassium ethynyl trifluoroborate, AldrichCPR, EN300-209100, F51713

Application

Potassium Ethynyltrifluoroborate serves as a key intermediate in palladium-catalyzed cross-coupling reactions, enabling the introduction of ethynyl groups into complex organic frameworks. It is particularly valuable in medicinal chemistry for constructing alkynyl-containing bioactive molecules. Additionally, this reagent finds use in material science for synthesizing conjugated polymers and molecular wires. Its trifluoroborate moiety enhances stability while retaining reactivity under mild conditions.

Safety and Hazards

GHS Hazard Statements

  • H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (97.6%): 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 (97.6%)
  • Eye Irrit. 2A (97.6%)
  • STOT SE 3 (97.6%)

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

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • 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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Certain molecules may be protected by active patents or regulatory restrictions.

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  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

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  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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