Description

3-Trifluoromethylphenylboronic acid (CAS No. 1423-26-3) 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 [3-(trifluoromethyl)phenyl]boronic acid, features a phenyl ring substituted with a boronic acid group (–B(OH)₂) and a trifluoromethyl (–CF₃) group at the meta position, offering unique reactivity in Suzuki-Miyaura cross-coupling reactions. Its trifluoromethyl group enhances lipophilicity and metabolic stability, making it valuable in medicinal chemistry and drug development. Available in crystalline form, this reagent is rigorously tested for purity (typically ≥95-98% by HPLC) and is suitable for use in anhydrous or aqueous conditions. Store in a cool, dry place under inert atmosphere to maintain stability.

Properties

• CAS Number: 1423-26-3
• Complexity: 172
• IUPAC Name: [3-(trifluoromethyl)phenyl]boronic acid
• InChI: InChI=1S/C7H6BF3O2/c9-7(10,11)5-2-1-3-6(4-5)8(12)13/h1-4,12-13H
• InChI Key: WOAORAPRPVIATR-UHFFFAOYSA-N
• Exact Mass: 190.0412941
• Molecular Formula: C7H6BF3O2
• Molecular Weight: 189.93
• SMILES: B(C1=CC(=CC=C1)C(F)(F)F)(O)O
• Topological: 40.5
• Monoisotopic Mass: 190.0412941
• Synonyms: 3-Trifluoromethylphenylboronic acid, (3-(Trifluoromethyl)phenyl)boronic acid, [3-(trifluoromethyl)phenyl]boronic Acid, 604-284-2, 675-106-9, 3-(Trifluoromethyl)phenylboronic acid, 1423-26-3, 3-(Trifluoromethyl)benzeneboronic acid, Boronic acid, B-[3-(trifluoromethyl)phenyl]-, MFCD00151854, m-(trifluoromethyl)phenylboronic acid, CHEMBL336239, 3-trifluoromethylphenyl boronic acid, Boronic acid, [3-(trifluoromethyl)phenyl]-, 3-(Trifluoromethyl)phenylbornic acid, [3-(Trifluoromethyl)Phenyl]Boranediol, Phenylboronic Acid, 3, SCHEMBL4995, 3-trifluoromethylboronic acid, alpha,alpha,alpha-Trifluoro-m-tolueneboronic Acid, SCHEMBL28432479, BDBM26124, 3-trifluromethylphenylboronic acid, DTXSID20370277, 3-trifluoromethyphenyl boronic acid, 3(trifluoromethyl)phenylboronic acid, 3-trifluoromethyl phenylboronic acid, 3-trifluoromethyl-phenylboronic acid, 3-trifluoromethylbenzeneboronic acid, 3-trifluromethylbenzene-boronic acid, BCP23035, M-TRUFLUOROMETHYLBORONIC ACID, 3-(Trifluoromethyl)PhenylboronicAcid, 3-trifluormethyl-phenyl boronic acid, (3-trifluoromethylphenyl)boronic acid, 3-trifluoromethyl benzeneboronic acid, 3-trifluoromethyl phenyl boronic acid, 3-trifluoromethyl-phenyl boronic acid, 3-trifluoromethyl-phenyl-boronic acid, 3-trifluoromethylbenzene boronic acid, m-trifluoromethyl phenyl boronic acid, SBB052521, m-(Trifluoromethyl)benzeneboronic acid, 3- (trifluoromethyl)phenylboronic acid, 3-(trifluoromethyl) phenylboronic acid, 3-(trifluoromethyl)-phenylboronic acid, 3-(trifluoromethyl)phenyl boronic acid, 3-(trifluoromethyl)phenyl-boronic acid, 3-Trifluoromethyl benzene boronic acid, 3-trifluoromethyl-benzene boronic acid, AKOS000264710, AB04008, AC-5361, AS-2651, CS-W018484, FT55252, (3-trifluoromethyl-phenyl)-boronic acid, 3-(trifluoromethyl)-benzeneboronic acid, 3-(trifluoromethyl)-phenyl boronic acid, 3-(trifluoromethyl-)-phenylboronic acid, 3-trifluoro methyl benzene boronic acid, [3-(trifluoromethyl)-phenyl]boronic acid, [3-(trifluoromethyl)phenyl]-boronic acid, BP-10006, HY-32902, PD181051, SY014782, DB-010504, T1793, EN300-49175, alpha,alpha,alpha-Trifluoro-m-tolylboronic Acid, 3-Trifluoromethylboronic acid;3-Boronobenzotrifluoride, Z330828258, 3-(Trifluoromethyl)phenylboronic acid pound contains varying amounts of Anhydride pound(c)

Application

3-Trifluoromethylphenylboronic acid is a versatile building block in organoboron chemistry, particularly for Suzuki-Miyaura cross-coupling reactions to synthesize biaryl compounds. It is employed in pharmaceutical research to introduce trifluoromethylphenyl motifs, which improve drug bioavailability and binding affinity. The compound also serves as a precursor in materials science for designing fluorinated polymers and liquid crystals. Its stability under mild conditions makes it ideal for iterative coupling strategies in complex molecule synthesis.

Safety and Hazards

GHS Hazard Statements

• H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (94.9%): 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 (97.4%)
• Eye Irrit. 2A (97.4%)
• STOT SE 3 (94.9%)

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