Atomfair 4-(Trifluoromethyl)phenylboronic acid 4-TFM-PBA C7H6BF3O2 CAS 128796-39-4

Description

4-(Trifluoromethyl)phenylboronic acid (CAS No. 128796-39-4) is a high-purity boronic acid derivative with the molecular formula C₇H₆BF₃O₂, widely utilized in organic synthesis, pharmaceutical research, and material science. This compound features a phenyl ring substituted with a trifluoromethyl (–CF₃) group at the para position, enhancing its electron-withdrawing properties and reactivity in Suzuki-Miyaura cross-coupling reactions. Its boronic acid functional group (–B(OH)₂) makes it an essential building block for constructing complex molecules, including agrochemicals, pharmaceuticals, and advanced materials. Suitable for use under inert conditions, this reagent is rigorously tested for quality, ensuring optimal performance in catalytic applications. Available in various packaging options to meet laboratory-scale and industrial demands.

Properties

• CAS Number: 128796-39-4
• Complexity: 164
• IUPAC Name: [4-(trifluoromethyl)phenyl]boronic acid
• InChI: InChI=1S/C7H6BF3O2/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4,12-13H
• InChI Key: ALMFIOZYDASRRC-UHFFFAOYSA-N
• Exact Mass: 190.0412941
• Molecular Formula: C7H6BF3O2
• Molecular Weight: 189.93
• SMILES: B(C1=CC=C(C=C1)C(F)(F)F)(O)O
• Topological: 40.5
• Monoisotopic Mass: 190.0412941
• Synonyms: 128796-39-4, 4-(Trifluoromethyl)phenylboronic acid, DTXSID80370278, DTXCID10321314, 603-301-0, 4-trifluoromethylphenylboronic acid, 4-(Trifluoromethyl)benzeneboronic acid, (4-(trifluoromethyl)phenyl)boronic acid, [4-(Trifluoromethyl)phenyl]boronic acid, MFCD00151855, BORONIC ACID, B-[4-(TRIFLUOROMETHYL)PHENYL]-, (4-Trifluoromethylphenyl)boronic acid, CHEMBL143654, alpha,alpha,alpha-Trifluoro-p-tolylboronic acid, 4-trifluoromethylbenzeneboronic acid, 4-trifluoromethylphenyl boronic acid, p-(trifluoromethyl)phenylboronic acid, [4-(trifluoromethyl)phenyl]boranediol, Boronic acid, [4-(trifluoromethyl)phenyl]-, 4-trifluoromethylphenyl-boronic acid, 4-(trifluoromethyl)phenyl boronic acid, SCHEMBL4179, alpha,alpha,alpha-Trifluoro-p-tolueneboronic Acid, BDBM26129, 4-trifluormethylphenylboronic acid, 4-trifluoromethyphenylboronic acid, 4-trifluromethylphenylboronic acid, p-trifluoromethylphenylboronic acid, 4-(Trifluoromethyl)benylboronicacid, 4- trifluoromethylphenylboronic acid, 4-trifluoromethybenzene boronic acid, 4-trifluoromethyl-phenylboronic acid, BCP23054, 4-(trifluormethyl)phenylboronic acid, 4-(trifluoromethyl)phenyboronic acid, 4-Trifluoromethyl phenylboronic acid, a,a,a-Trifluoro-p-tolylboronic acid, 4-(trifluoromethylphenyl)boronic acid, 4-trifluoromethyl benzeneboronic acid, 4-trifluoromethyl phenyl boronic acid, 4-trifluoromethyl-benzeneboronic acid, 4-trifluoromethyl-phenyl boronic acid, 4-trifluoromethyl-phenyl-boronic acid, 4-trifluoromethylbenzene boronic acid, SBB052522, 4-(trifluormethyl)phenyl-boronic acid, (4-(trifluoromethyl)phenyl)boronicacid, (4-trifluoromethyl-phenyl)boronic acid, 4-(triflouromethyl)benzeneboronic acid, 4-(trifluoromethyl)-phenylboronic acid, 4-(trifluoromethyl)phenyl-boronic acid, 4-(Trifluoromethyl)phenylboronic acid (contains varying amounts of Anhydride), AKOS004116428, para-trifluoromethylphenyl boronic acid, 4-(Trifluoromethyl) phenylboronic acid, AB04009, AC-1397, AS-2509, CS-W008762, FT70034, 4-(trifluoromethyl)-benzeneboronic acid, 4-(trifluoromethyl)-phenyl boronic acid, 4-(trifluoromethyl)benzene boronic acid, 4-(trifluoromethyl) benzene boronic acid, NCGC00249480-01, [4-(trifluoromethyl)-phenyl]boronic acid, [4-(trifluoromethyl)phenyl]-boronic acid, BP-11325, HY-77738, PD181920, SY003865, DB-006570, NS00120129, T1788, EN300-85513, 4-(Trifluoromethyl)phenylboronic acid, >=95.0%, F9995-1327, Z381541148

Application

4-(Trifluoromethyl)phenylboronic acid is a key intermediate in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of biaryl compounds for pharmaceutical and agrochemical development. Its electron-withdrawing trifluoromethyl group enhances reactivity in palladium-catalyzed transformations, making it valuable for creating fluorinated aromatic systems. Researchers also employ it in the preparation of sensors, catalysts, and advanced polymeric materials due to its stable yet versatile boronic acid moiety.

Safety and Hazards

GHS Hazard Statements

• H302 (80.8%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (23.1%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (23.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (19.2%): 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 (80.8%)
• Skin Irrit. 2 (23.1%)
• Eye Irrit. 2A (23.1%)
• STOT SE 3 (19.2%)

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