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Atomfair 3-Fluoro-4-(trifluoromethoxy)benzeneboronic acid C7H5BF4O3 CAS 187804-79-1

3-Fluoro-4-(trifluoromethoxy)benzeneboronic acid (CAS No. 187804-79-1) is a high-purity boronic acid derivative with the molecular formula C7H5BF4O3. This compound is a valuable building block in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, due to its reactive boronic acid functional group. Its unique structure, featuring both fluorine and trifluoromethoxy substituents, enhances its utility in pharmaceutical and agrochemical research, where electron-withdrawing groups are often desired. The product is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring optimal performance in sensitive applications. Proper storage under inert conditions (2-8°C, argon) is recommended to maintain stability.

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Description

3-Fluoro-4-(trifluoromethoxy)benzeneboronic acid (CAS No. 187804-79-1) is a high-purity boronic acid derivative with the molecular formula C7H5BF4O3. This compound is a valuable building block in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, due to its reactive boronic acid functional group. Its unique structure, featuring both fluorine and trifluoromethoxy substituents, enhances its utility in pharmaceutical and agrochemical research, where electron-withdrawing groups are often desired. The product is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring optimal performance in sensitive applications. Proper storage under inert conditions (2-8°C, argon) is recommended to maintain stability.

Properties

  • CAS Number: 187804-79-1
  • Complexity: 211
  • IUPAC Name: [3-fluoro-4-(trifluoromethoxy)phenyl]boronic acid
  • InChI: InChI=1S/C7H5BF4O3/c9-5-3-4(8(13)14)1-2-6(5)15-7(10,11)12/h1-3,13-14H
  • InChI Key: VDEVIIGZNWVCOR-UHFFFAOYSA-N
  • Exact Mass: 224.0267868
  • Molecular Formula: C7H5BF4O3
  • Molecular Weight: 223.92
  • SMILES: B(C1=CC(=C(C=C1)OC(F)(F)F)F)(O)O
  • Topological: 49.7
  • Monoisotopic Mass: 224.0267868
  • Synonyms: 3-Fluoro-4-(trifluoromethoxy)benzeneboronic acid, 810-402-5, 187804-79-1, 3-FLUORO-4-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID, (3-Fluoro-4-(trifluoromethoxy)phenyl)boronic acid, [3-fluoro-4-(trifluoromethoxy)phenyl]boronic Acid, Boronic acid, B-[3-fluoro-4-(trifluoromethoxy)phenyl]-, MFCD07368680, Boronic acid, [3-fluoro-4-(trifluoromethoxy)phenyl]-, SCHEMBL491621, DTXSID50382500, SBB096579, AKOS015853367, AB32065, PS-9475, SY106779, DB-028483, 3-fluoro-4-trifluoromethoxyphenylboronic acid, CS-0029681, 3-fluoro-4-trifluoromethoxy phenylboronic acid, 3-Fluoro-4-trifluoromethoxybenzene boronic acid, (3-Fluoro-4-(trifluoromethoxy)phenyl)boronicacid, EN300-7388156, 3-FLUORO-4-TRIFLUOROMETHOXY PHENYL BORONIC ACID

Application

3-Fluoro-4-(trifluoromethoxy)benzeneboronic acid is widely used in pharmaceutical research as a key intermediate for synthesizing fluorinated drug candidates. Its boronic acid group enables efficient Suzuki-Miyaura cross-coupling to form biaryl structures, common in bioactive molecules. The trifluoromethoxy moiety enhances lipophilicity and metabolic stability, making it valuable for medicinal chemistry optimization.

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. 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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