Description

3-(Trifluoromethoxy)phenylboronic Acid (contains varying amounts of Anhydride) is a high-purity boronic acid derivative with the molecular formula C₇H₆BF₃O₃ and CAS number 179113-90-7. This compound is widely utilized in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, due to its excellent reactivity and stability. The presence of the trifluoromethoxy group enhances its electron-withdrawing properties, making it a valuable building block for pharmaceutical intermediates, agrochemicals, and advanced materials. Available in varying purities, this product may contain trace amounts of anhydride, as noted. Suitable for researchers and industrial applications, it is supplied with comprehensive analytical data (including ¹H NMR, ¹³C NMR, and HPLC) to ensure quality and consistency. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 179113-90-7
• Complexity: 186
• IUPAC Name: [3-(trifluoromethoxy)phenyl]boronic acid
• InChI: InChI=1S/C7H6BF3O3/c9-7(10,11)14-6-3-1-2-5(4-6)8(12)13/h1-4,12-13H
• InChI Key: UWDFWVLAHRQSKK-UHFFFAOYSA-N
• Exact Mass: 206.0362087
• Molecular Formula: C7H6BF3O3
• Molecular Weight: 205.93
• SMILES: B(C1=CC(=CC=C1)OC(F)(F)F)(O)O
• Topological: 49.7
• Monoisotopic Mass: 206.0362087
• Synonyms: 3-(Trifluoromethoxy)phenylboronic acid (contains varying amounts of Anhydride), 642-464-2, 179113-90-7, 3-(Trifluoromethoxy)phenylboronic acid, 3-Trifluoromethoxyphenylboronic acid, (3-(Trifluoromethoxy)phenyl)boronic acid, 3-(Trifluoromethoxy)benzeneboronic Acid, [3-(trifluoromethoxy)phenyl]boronic Acid, Boronic acid, B-[3-(trifluoromethoxy)phenyl]-, MFCD01320697, 3-(trifluoromethoxy)phenyl boronic acid, 3-(trifluoromethyloxy)phenylboronic acid, Boronic acid, [3-(trifluoromethoxy)phenyl]-, m-(trifluoromethoxy)phenylboronic acid, SCHEMBL28261, SCHEMBL28433013, DTXSID40370274, BCP21459, 3-trifluoromethoxybenzeneboronic acid, 3-trifluoromethoxy-phenylboronic acid, 3-trifluoromethoxyphenyl boronic acid, BBL104380, SBB093558, STL558637, 3-Trifluoromethoxy-benzeneboronic acid, 3-trifluoromethoxybenzene boronic acid, 3-trifluoromethoxylphenyl boronic acid, 3-trifluoromethoxy-phenyl boronic acid, AKOS004116215, AB09003, AC-5362, CS-W015357, FT36894, PS-9533, 3-(trifluoromethoxy) phenylboronic acid, 3-(trifluoromethoxy)-phenylboronic acid, NCGC00249558-01, BP-20269, SY014636, (3-(trifluoro methoxy)phenyl)boronic acid, DB-010503, T2362, {3-[(trifluoromethyl)oxy]phenyl}boronic acid, EN300-225310, Z1037570248

Application

3-(Trifluoromethoxy)phenylboronic Acid is a key reagent in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of biaryl compounds for pharmaceuticals and materials science. Its electron-deficient aromatic ring makes it ideal for constructing complex molecules in medicinal chemistry, such as kinase inhibitors or fluorinated drug candidates. The trifluoromethoxy group also enhances lipophilicity, useful in agrochemical development. Researchers employ it in the preparation of advanced OLED materials and ligands for catalysis. Handle under inert conditions to prevent boronic acid degradation.

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 (88.9%): 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 (88.9%)

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