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Atomfair 4-(2,2,2-Trifluoroethoxy)benzeneboronic acid C8H8BF3O3 CAS 886536-37-4

4-(2,2,2-Trifluoroethoxy)benzeneboronic acid (CAS No. 886536-37-4) is a high-purity boronic acid derivative with the molecular formula C8H8BF3O3. This compound is widely utilized in Suzuki-Miyaura cross-coupling reactions, a cornerstone methodology in synthetic organic chemistry for the formation of carbon-carbon bonds. Its trifluoroethoxy substituent enhances its reactivity and selectivity, making it an invaluable reagent for pharmaceutical and materials science research. The product is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistent performance in demanding applications. Proper storage under inert conditions (2-8°C, argon) is recommended to maintain stability.

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Description

4-(2,2,2-Trifluoroethoxy)benzeneboronic acid (CAS No. 886536-37-4) is a high-purity boronic acid derivative with the molecular formula C8H8BF3O3. This compound is widely utilized in Suzuki-Miyaura cross-coupling reactions, a cornerstone methodology in synthetic organic chemistry for the formation of carbon-carbon bonds. Its trifluoroethoxy substituent enhances its reactivity and selectivity, making it an invaluable reagent for pharmaceutical and materials science research. The product is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistent performance in demanding applications. Proper storage under inert conditions (2-8°C, argon) is recommended to maintain stability.

Properties

  • CAS Number: 886536-37-4
  • Complexity: 190
  • IUPAC Name: [4-(2,2,2-trifluoroethoxy)phenyl]boronic acid
  • InChI: InChI=1S/C8H8BF3O3/c10-8(11,12)5-15-7-3-1-6(2-4-7)9(13)14/h1-4,13-14H,5H2
  • InChI Key: DWRAMTYYMNLVBD-UHFFFAOYSA-N
  • Exact Mass: 220.0518588
  • Molecular Formula: C8H8BF3O3
  • Molecular Weight: 219.96
  • SMILES: B(C1=CC=C(C=C1)OCC(F)(F)F)(O)O
  • Topological: 49.7
  • Monoisotopic Mass: 220.0518588
  • Synonyms: 4-(2,2,2-Trifluoroethoxy)benzeneboronic acid, 690-432-1, 886536-37-4, 4-(2,2,2-Trifluoroethoxy)phenylboronic acid, (4-(2,2,2-Trifluoroethoxy)phenyl)boronic acid, [4-(2,2,2-trifluoroethoxy)phenyl]boronic acid, MFCD09027239, (4-(2,2,2-Trifluoroethoxy)phenyl)boronicacid, SCHEMBL2563877, DTXSID60655550, SBB095866, AKOS009318041, CS-W014761, SB39611, DA-40827, DS-18060, SY024844, 4-(2,2,2-trifluoroethoxyl)phenylboronic acid, EN300-152032

Application

4-(2,2,2-Trifluoroethoxy)benzeneboronic acid is primarily employed as a key intermediate in the synthesis of bioactive molecules and advanced materials. Its boronic acid functionality enables efficient participation in palladium-catalyzed cross-coupling reactions to construct complex aryl-aryl bonds. Researchers value this compound for its role in developing fluorinated pharmaceuticals, where the trifluoroethoxy group can modulate metabolic stability and lipophilicity. Additionally, it finds use in materials science for creating novel polymers and liquid crystals with tailored electronic properties.

Safety and Hazards

GHS Hazard Statements

  • H302 (50%): 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 (50%)
  • 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.

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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