Description

n-Butylboronic acid (CAS No. 4426-47-5) is a high-purity organoboron compound with the molecular formula C₄H₁₁BO₂, widely utilized in organic synthesis and pharmaceutical research. This versatile boronic acid derivative serves as a critical intermediate in Suzuki-Miyaura cross-coupling reactions, enabling the formation of carbon-carbon bonds for advanced molecular construction. Its stable yet reactive nature makes it ideal for catalytic applications, including the synthesis of complex bioactive molecules and functional materials. Available in crystalline or powder form, our n-Butylboronic acid is rigorously tested to ensure ≥98% purity (HPLC/GC), with stringent quality control for moisture-sensitive storage. Suitable for use in anhydrous conditions, it is packaged under inert gas to preserve reactivity and shelf life. Researchers trust this reagent for its consistent performance in asymmetric synthesis, medicinal chemistry, and material science applications.

Properties

• CAS Number: 4426-47-5
• Complexity: 38.7
• IUPAC Name: butylboronic acid
• InChI: InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
• InChI Key: QPKFVRWIISEVCW-UHFFFAOYSA-N
• Exact Mass: 102.0852098
• Molecular Formula: C4H11BO2
• Molecular Weight: 101.94
• SMILES: B(CCCC)(O)O
• Topological: 40.5
• Monoisotopic Mass: 102.0852098
• Physical Description: White hygroscopic solid;
• Vapor Pressure: 0.000548 [mmHg]
• Synonyms: n-Butylboronic acid, 4426-47-5, BUTYLBORONIC ACID, 1-BUTANE BORONIC ACID, Boronic acid, butyl-, butaneboronic acid, Butyl boronic acid, 1-Butyldihydroxyborane, N-butylboronate, EINECS 224-607-7, DTXSID90196087, 1Butaneboronic acid, 1Butyldihydroxyborane, DTXCID00118578, 224-607-7, 1-butylboronic acid, 1-Butaneboronic acid, MFCD00002106, n-Butaneboronic acid, CHEMBL31962, 1-butylboronicacid, BUB, 4-butylboronic acid, n-butyl boronic acid, n-butane boronic acid, Butylboronic acid, 97%, SCHEMBL15975, SCHEMBL1740664, SCHEMBL1740665, QPKFVRWIISEVCW-UHFFFAOYSA-, BCP22759, STR06559, BDBM50067884, AKOS005254957, BCP9000049, CS-W000932, DB02664, HY-W000932, Butylboronic acid [for Esterification], NCGC00249446-01, SY012742, DB-010279, B0529, NS00073507, 1-(Dihydroxyboryl)butane; n-Butylboronic acid, EN300-179386, Q27093616, Butylboronic acid (contains varying amounts of Anhydride), Butylboronic acid, for GC derivatization, >=96.0% (T), F0001-1206, Z1147227739, InChI=1/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3

Application

n-Butylboronic acid is primarily employed in Suzuki-Miyaura cross-coupling reactions to facilitate the synthesis of biaryl compounds and pharmaceutical intermediates. It acts as a key building block in the development of enzyme inhibitors and ligands for catalysis due to its ability to form stable boronate complexes. Additionally, it is used in polymer science to modify resin properties and in agrochemical research for designing novel active ingredients.

Safety and Hazards

GHS Hazard Statements

• 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, 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 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (87.5%)

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