Description

2-Fluoro-4-(trifluoromethyl)benzeneboronic acid (CAS No. 503309-11-3) is a high-purity boronic acid derivative with the molecular formula C₇H₅BF₄O₂. This compound, also known by its IUPAC name [2-fluoro-4-(trifluoromethyl)phenyl]boronic acid, is a versatile building block in organic synthesis and pharmaceutical research. Its unique structure, featuring both fluorine and trifluoromethyl substituents, enhances its reactivity in Suzuki-Miyaura cross-coupling reactions, making it invaluable for constructing complex fluorinated aromatic systems. This product is rigorously tested for purity and stability, ensuring optimal performance in demanding applications. Supplied as a white to off-white crystalline powder, it is packaged under inert conditions to maintain integrity. Ideal for researchers and chemists working in medicinal chemistry, material science, and agrochemical development.

Properties

• CAS Number: 503309-11-3
• Complexity: 197
• IUPAC Name: [2-fluoro-4-(trifluoromethyl)phenyl]boronic acid
• InChI: InChI=1S/C7H5BF4O2/c9-6-3-4(7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H
• InChI Key: SSFSVKVWAURAAM-UHFFFAOYSA-N
• Exact Mass: 208.0318722
• Molecular Formula: C7H5BF4O2
• Molecular Weight: 207.92
• SMILES: B(C1=C(C=C(C=C1)C(F)(F)F)F)(O)O
• Topological: 40.5
• Monoisotopic Mass: 208.0318722
• Synonyms: 2-fluoro-4-(trifluoromethyl)benzeneboronic acid, 640-112-2, 503309-11-3, 2-fluoro-4-(trifluoromethyl)phenylboronic acid, 2-Fluoro-4-trifluoromethylphenylboronic acid, [2-fluoro-4-(trifluoromethyl)phenyl]boronic acid, Boronic acid, [2-fluoro-4-(trifluoromethyl)phenyl]-, MFCD03094995, (2-fluoro-4-(trifluoromethyl)phenyl)boronic acid, SCHEMBL582110, DTXSID90585932, CS-D1023, SBB071055, AKOS004114071, AB13407, AC-1145, PS-9527, FF105416, SY050704, DB-010425, F0816, 2-fluoro-4-(trifluoromethyl)phenylboronicacid, 2-Fluoro-4-trifluoromethyl-phenylboronic acid, 2-fluoro-4-trifluoromethyl phenyl boronic acid, EN300-822217, Z1269140842, 2-Fluoro-4-(trifluoromethyl)phenylboronic acid, AldrichCPR

Application

2-Fluoro-4-(trifluoromethyl)benzeneboronic acid is widely used as a key intermediate in Suzuki-Miyaura cross-coupling reactions to synthesize biaryl compounds with fluorinated motifs. Its electron-withdrawing trifluoromethyl and fluorine groups enhance reactivity, making it valuable in pharmaceutical research for drug discovery and development. This compound is also employed in material science for creating advanced polymers and liquid crystals with tailored properties. Additionally, it serves as a precursor in agrochemical synthesis for designing novel pesticides and herbicides.

Safety and Hazards

GHS Hazard Statements

• H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (87.5%): 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 (25%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (87.5%)

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