Description

[2-(Trifluoromethyl)pyridin-3-yl]boronic acid (CAS No. 947533-39-3) is a high-purity boronic acid derivative with the molecular formula C₆H₅BF₃NO₂. This compound features a pyridine ring substituted with a trifluoromethyl group at the 2-position and a boronic acid moiety at the 3-position, making it a versatile building block for Suzuki-Miyaura cross-coupling reactions and other transition-metal-catalyzed processes. Ideal for pharmaceutical, agrochemical, and materials science research, this reagent is rigorously tested for quality, ensuring optimal reactivity and consistency. Supplied as a white to off-white crystalline powder, it is packaged under inert conditions to maintain stability. Store in a cool, dry place, protected from moisture and light.

Properties

• CAS Number: 947533-39-3
• Complexity: 176
• IUPAC Name: [2-(trifluoromethyl)-3-pyridyl]boronic acid
• InChI: InChI=1S/C6H5BF3NO2/c8-6(9,10)5-4(7(12)13)2-1-3-11-5/h1-3,12-13H
• InChI Key: RWKHOCBPUSCGAW-UHFFFAOYSA-N
• Exact Mass: 191.0365431
• Molecular Formula: C6H5BF3NO2
• Molecular Weight: 190.92
• SMILES: B(C1=C(N=CC=C1)C(F)(F)F)(O)O
• Topological: 53.4
• Monoisotopic Mass: 191.0365431
• Synonyms: (2-(Trifluoromethyl)pyridin-3-yl)boronic acid, [2-(Trifluoromethyl)pyridin-3-yl]boronic acid, DTXSID10660275, DTXCID50611024, 947533-39-3, 2-(Trifluoromethyl)pyridine-3-boronic acid, 2-trifluoromethylpyridine-3-boronic acid, MFCD09271791, 2-Trifluoromethylpyridine-3-boronicacid, 2-(trifluoromethyl)pyridin-3-ylboronic acid, 2-Trifluoromethyl-pyridine-3-boronic acid, [2-(TRIFLUOROMETHYL)-3-PYRIDINYL]BORONIC ACID, [2-(trifluoromethyl)-3-pyridyl]boronic acid, SCHEMBL956094, SBB091208, AKOS006344789, AB50567, FD10123, AS-48818, SY028970, DB-226741, CS-0106243, (2-(Trifluoromethyl)pyridin-3-yl)boronicacid, EN300-155531

Application

[2-(Trifluoromethyl)pyridin-3-yl]boronic acid is widely used in medicinal chemistry as a key intermediate for the synthesis of trifluoromethyl-substituted pyridine derivatives, which are prevalent in drug discovery. It is particularly valuable in Suzuki-Miyaura cross-coupling reactions to construct biaryl systems with enhanced metabolic stability and lipophilicity. Researchers also employ this compound in the development of advanced materials and ligands for catalysis.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (33.3%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (33.3%)
• 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.