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Atomfair Potassium trans-1-propenyltrifluoroborate C3H5BF3K CAS 804565-39-7

Potassium trans-1-propenyltrifluoroborate (CAS: 804565-39-7) is a highly versatile organoboron reagent with the molecular formula C3H5BF3K . This compound, also known by its IUPAC name potassium;trifluoro-[(E)-prop-1-enyl]boranuide , is a stable, crystalline solid widely used in Suzuki-Miyaura cross-coupling reactions. Its trans-configuration ensures high selectivity in organic synthesis, making it invaluable for constructing complex alkenes and pharmaceutical intermediates. The trifluoroborate moiety enhances stability and solubility in aqueous and organic media, facilitating handling and storage. Ideal for researchers and industrial chemists, this reagent is rigorously tested for purity and performance, ensuring reproducible results in catalytic transformations.

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Description

Potassium trans-1-propenyltrifluoroborate (CAS: 804565-39-7) is a highly versatile organoboron reagent with the molecular formula C3H5BF3K. This compound, also known by its IUPAC name potassium;trifluoro-[(E)-prop-1-enyl]boranuide, is a stable, crystalline solid widely used in Suzuki-Miyaura cross-coupling reactions. Its trans-configuration ensures high selectivity in organic synthesis, making it invaluable for constructing complex alkenes and pharmaceutical intermediates. The trifluoroborate moiety enhances stability and solubility in aqueous and organic media, facilitating handling and storage. Ideal for researchers and industrial chemists, this reagent is rigorously tested for purity and performance, ensuring reproducible results in catalytic transformations.

Properties

  • CAS Number: 804565-39-7
  • Complexity: 77.1
  • IUPAC Name: potassium;trifluoro-[(E)-prop-1-enyl]boranuide
  • InChI: InChI=1S/C3H5BF3.K/c1-2-3-4(5,6)7;/h2-3H,1H3;/q-1;+1/b3-2+;
  • InChI Key: RLDWVFWDURMTAV-SQQVDAMQSA-N
  • Exact Mass: 148.0073463
  • Molecular Formula: C3H5BF3K
  • Molecular Weight: 147.98
  • SMILES: [B-](/C=C/C)(F)(F)F.[K+]
  • Monoisotopic Mass: 148.0073463
  • Synonyms: 804565-39-7, 1902198-18-8, Potassium trans-1-propenyltrifluoroborate, Potassium (E)-trifluoro(prop-1-en-1-yl)borate, Potassium (E)-propenyl-1-trifluoroborate, Potassium (E)-trifluoro(prop-1-enyl)borate, potassium;trifluoro-[(E)-prop-1-enyl]boranuide, Borate(1-), trifluoro-(1E)-1-propen-1-yl-, potassium (1:1), (T-4)-, POTASSIUM (E)-1-PROPENYL-1-TRIFLUOROBORATE, MFCD09992882, potassium trifluoro[(1E)-prop-1-en-1-yl]boranuide, Potassium trifluoro(prop-1-en-1-yl)borate, Potassium(E)-propenyl-1-trifluoroborate, SCHEMBL17256531, RLDWVFWDURMTAV-SQQVDAMQSA-N, DB-173227, A51250, EN300-761376, Potassium trans-1-propenyltrifluoroborate, 97%, Potassium(E)-trifluoro(prop-1-en-1-yl)borate, EN300-7383917, POTASSIUM TRIFLUORO(PROP-1-EN-1-YL)BORANUIDE

Application

Potassium trans-1-propenyltrifluoroborate is a key reagent in palladium-catalyzed cross-coupling reactions, enabling the synthesis of styrenes and other alkenes. It is particularly useful in medicinal chemistry for introducing propenyl groups into bioactive molecules. The compound’s stability under ambient conditions makes it suitable for multistep synthetic routes.

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. 2A (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.

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).

Patent & Regulatory Compliance

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

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • 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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