Description

p-Tolueneboronic acid (CAS No. 5720-05-8), also known as p-Tolylboronic acid, is a high-purity boronic acid derivative with the molecular formula C₇H₉BO₂. This organoboron compound is widely utilized in Suzuki-Miyaura cross-coupling reactions, a cornerstone of modern synthetic organic chemistry. The presence of the electron-donating methyl group at the para position enhances its reactivity in palladium-catalyzed transformations. Our product is meticulously synthesized and purified to ensure exceptional quality, with rigorous analytical controls (including HPLC, NMR, and elemental analysis) to guarantee ≥98% purity. Available as a white to off-white crystalline powder, it is packaged under inert conditions to maintain stability. Ideal for pharmaceutical intermediates, materials science research, and ligand design, this reagent is a staple in high-throughput and medicinal chemistry laboratories. Store in a cool, dry place, protected from moisture and light.

Properties

• CAS Number: 5720-05-8
• Complexity: 97.8
• IUPAC Name: p-tolylboronic acid
• InChI: InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
• InChI Key: BIWQNIMLAISTBV-UHFFFAOYSA-N
• Exact Mass: 136.0695597
• Molecular Formula: C7H9BO2
• Molecular Weight: 135.96
• SMILES: B(C1=CC=C(C=C1)C)(O)O
• Topological: 40.5
• Monoisotopic Mass: 136.0695597
• Synonyms: p-Tolylboronic acid, 5720-05-8, (4-methylphenyl)boronic acid, p-Tolueneboronic acid, Boronic acid, (4-methylphenyl)-, p-Methylbenzeneboronic acid, 4-Methylphenylboric acid, Boronic acid, p-tolyl-, p-Methylborophenylic acid, YJM4GM7K66, T-509, NSC 62870, NSC-62870, BRN 2935970, TOLUENEBORONIC ACID, P-, DTXSID00205836, 4-16-00-01673 (Beilstein Handbook Reference), DTXCID30128327, Boronic acid, (4-methylphenyl)-(9CI), 611-480-1, inchi=1/c7h9bo2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10h,1h, 4-Tolylboronic acid, 4-Methylphenylboronic acid, 4-Methylbenzeneboronic acid, Tolyl boronic acid, MFCD00039138, 4-TOLUENEBORONIC ACID, CHEMBL140780, p-methylphenylboronic acid, 4-methylphenyl boronic acid, p-Tolylboronic acid (Contains varying amounts of anhydride), p-boronotoluene, 4-Methyl Phenyl Boronic Acid, 4-Tolylboronicacid, p-tolyl boronic acid, p-tolyl-boronic acid, 4-tolyl boronic acid, 4-tolyl-boronic acid, para-tolylboronic acid, p-Toluene boronic acid, 4-methyphenylboronic acid, 4-methylbenzenboronic acid, UNII-YJM4GM7K66, WLN: QBQR D1, 4-methyl benzenboronic acid, 4-methyl phenylboronic acid, 4-methyl-phenylboronic acid, 4-methylphenyl-boronic acid, p-Tolylboronic acid, 97%, 4-methyl-benzeneboronic acid, 4-methylbenzene boronic acid, 4-methylbenzene-boronic acid, NCIOpen2_000259, SCHEMBL41149, 4-methyl-phenyl boronic acid, 4-methyl-phenyl-boronic acid, 4-Methylphenylboronic acid #, 4-MeC6H4B(OH)2, 4-methyl-benzene boronic acid, SCHEMBL129197, (4-methylphenyl)-boronic acid, (4-methyl-phenyl)-boronic acid, HMS3741O05, NSC62870, BDBM50067895, SBB048068, STK503713, AKOS000266687, AB01767, AC-1381, AS-2260, BCP9000131, CS-W009284, FM10223, NCGC00092015-01, NCGC00092015-02, BP-12105, HY-21626, SY002147, M1126, NS00033664, 4-Methylphenylboronic acid4-Tolylboronic acid, EN300-33404, 4-Tolylboronic acid;4-Methylbenzeneboronic acid, Q27294549, Z336079532, 4-Methylphenylboronic Acid (contains varying amounts of Anhydride), 4-Methylphenylboronic acid (contains varying amounts of anhydries)

Application

p-Tolueneboronic acid is a key building block in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of biaryl compounds for drug discovery and materials science. It serves as a versatile intermediate in the preparation of liquid crystals, OLED materials, and agrochemicals. Researchers also employ it in the development of boron-containing probes for biochemical assays and PET radiotracers.

Safety and Hazards

GHS Hazard Statements

• H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (96.2%): 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 (98.1%)
• Eye Irrit. 2 (98.1%)
• STOT SE 3 (96.2%)

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