Description

(4-Fluoro-2,3-dimethylphenyl)boronic acid (CAS No. 211495-31-7) is a high-purity boronic acid derivative with the molecular formula C₈H₁₀BFO₂. This compound is a versatile building block in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, enabling the formation of carbon-carbon bonds for pharmaceutical and materials science applications. Its unique structure, featuring a fluorine substituent and two methyl groups adjacent to the boronic acid moiety, enhances reactivity and selectivity in coupling reactions. The product is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring optimal performance in research and industrial processes. Proper storage under inert conditions (argon or nitrogen) at 2-8°C is recommended to maintain stability.

Properties

• CAS Number: 211495-31-7
• Complexity: 154
• IUPAC Name: (4-fluoro-2,3-dimethyl-phenyl)boronic acid
• InChI: InChI=1S/C8H10BFO2/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4,11-12H,1-2H3
• InChI Key: JACGHVGDEQRIFL-UHFFFAOYSA-N
• Exact Mass: 168.0757879
• Molecular Formula: C8H10BFO2
• Molecular Weight: 167.98
• SMILES: B(C1=C(C(=C(C=C1)F)C)C)(O)O
• Topological: 40.5
• Monoisotopic Mass: 168.0757879
• Synonyms: 211495-31-7, (4-Fluoro-2,3-dimethylphenyl)boronic acid, 4-Fluoro-2,3-dimethylphenylboronic acid, MFCD10699619, 2,3-Dimethyl-4-fluorophenylboronic acid, (4-Fluoro-2,3-dimethylphenyl)boronicacid, SCHEMBL6588524, DTXSID50514405, JACGHVGDEQRIFL-UHFFFAOYSA-N, 3-fluoro-o-xylene-6-boronic acid, AKOS006302532, BS-25395, 4-fluoro-2,3-dimethyl-benzeneboronic acid, DB-400457, CS-0174790, B-(4-Fluoro-2,3-dimethylphenyl)boronic acid, EN300-7361811, Z1198279694

Application

(4-Fluoro-2,3-dimethylphenyl)boronic acid is widely used in Suzuki-Miyaura cross-coupling reactions to synthesize biaryl compounds for pharmaceutical intermediates and agrochemicals. Its electron-deficient aromatic ring and steric hindrance from methyl groups improve reaction yields in palladium-catalyzed couplings. Researchers also employ it in the development of fluorescent probes and boron-based polymers due to its stable boronic acid functionality.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): 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 (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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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