Description

2-(Trifluoromethyl)benzeneboronic acid (CAS No. 1423-27-4) is a high-purity boronic acid derivative with the molecular formula C₇H₆BF₃O₂, widely used in organic synthesis and pharmaceutical research. This compound, also known by its IUPAC name [2-(trifluoromethyl)phenyl]boronic acid, features a boronic acid functional group ortho to a trifluoromethyl substituent, enhancing its reactivity in Suzuki-Miyaura cross-coupling reactions. Its crystalline form ensures stability and ease of handling under inert conditions. Ideal for researchers, this reagent is rigorously tested for purity (typically ≥95-98% by HPLC or NMR) and is supplied in moisture-resistant packaging to maintain integrity. Suitable for catalysis, ligand design, and medicinal chemistry applications.

Properties

• CAS Number: 1423-27-4
• Complexity: 172
• IUPAC Name: [2-(trifluoromethyl)phenyl]boronic acid
• InChI: InChI=1S/C7H6BF3O2/c9-7(10,11)5-3-1-2-4-6(5)8(12)13/h1-4,12-13H
• InChI Key: JNSBEPKGFVENFS-UHFFFAOYSA-N
• Exact Mass: 190.0412941
• Molecular Formula: C7H6BF3O2
• Molecular Weight: 189.93
• SMILES: B(C1=CC=CC=C1C(F)(F)F)(O)O
• Topological: 40.5
• Monoisotopic Mass: 190.0412941
• Synonyms: 2-Trifluoromethylphenylboronic acid, 2-(Trifluoromethyl)benzeneboronic acid, 640-203-7, 1423-27-4, 2-(Trifluoromethyl)phenylboronic acid, [2-(trifluoromethyl)phenyl]boronic Acid, (2-Trifluoromethyl)phenylboronic acid, (2-(trifluoromethyl)phenyl)boronic acid, MFCD00236059, Boronic acid, B-[2-(trifluoromethyl)phenyl]-, [2-(Trifluoromethyl)Phenyl]Boranediol, 2-trifluoromethyl phenylboronic acid, o-trifluoromethylphenylboronic acid, Boronic acid, [2-(trifluoromethyl)phenyl]-, SCHEMBL4288, alpha,alpha,alpha-Trifluoro-o-tolueneboronic Acid, CHEMBL349181, BDBM26136, 2-trifluromethylphenylboronic acid, DTXSID60370276, 2-trifluoromethyl-phenylboronic acid, 2-trifluoromethylbenzeneboronic acid, 2-trifluoromethylphenyl boronic acid, BCP26907, (2-Trifluoromethyl)phenylboronicacid, 0-TRUFLUOROMETHYLBORONIC ACID, 2-(trifluoromethy)phenylboronic acid, 2-(trifluromethyl)phenylboronic acid, (2-trifluoromethylphenyl)boronic acid, 2-trifluoromethyl phenyl boronic acid, 2-trifluoromethyl-phenyl boronic acid, 2-trifluoromethyl-phenyl-boronic acid, 2-trifluoromethylbenzene boronic acid, SBB052520, (2-trifluoromethylphenyl) boronic acid, 2-(tri-fluoromethyl)phenylboronic acid, 2-(trifluoro-methyl)phenylboronic acid, 2-(trifluoromethyl)phenyl boronic acid, 2-(trifluoromethyl)phenyl-boronic acid, 2-trifluoromethyl-benzene boronic acid, AKOS003585299, AB05355, AC-5352, CS-W015924, GS-6728, (2-trifluoromethyl-phenyl)-boronic acid, 2-(trifluoromethyl)-benzeneboronic acid, 2-(trifluoromethyl)-phenyl boronic acid, 2-(trifluoromethyl)benzene boronic acid, NCGC00249479-01, NCGC00249479-02, [2-(trifluoromethyl)-phenyl]boronic acid, [2-(trifluoromethyl)phenyl]-boronic acid, SY007882, DB-010287, DB-135176, T1800, alpha,alpha,alpha-Trifluoro-o-tolylboronic Acid, EN300-120182, 2-(Trifluoromethyl)phenylboronic acid, >=95.0%, Z382786174

Application

2-(Trifluoromethyl)benzeneboronic acid is a key intermediate in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of biaryl compounds for pharmaceuticals and agrochemicals. Its trifluoromethyl group enhances lipophilicity and metabolic stability in drug discovery. The compound is also used in materials science for designing fluorinated organic frameworks. Researchers leverage its boronic acid moiety for sensor development and carbohydrate recognition studies.

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. 2A (100%)
• STOT SE 3 (88.9%)

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