Atomfair 5-Chloropyridine-3-boronic acid C5H5BClNO2 CAS 872041-85-5

Description

5-Chloropyridine-3-boronic acid (CAS No. 872041-85-5) is a high-purity boronic acid derivative with the molecular formula C₅H₅BClNO₂. This compound, also known by its IUPAC name (5-chloropyridin-3-yl)boronic acid, is a versatile building block in organic synthesis and pharmaceutical research. Its unique structure, featuring a reactive boronic acid group and a chloropyridine moiety, makes it an essential intermediate for Suzuki-Miyaura cross-coupling reactions, enabling the formation of carbon-carbon bonds in complex molecular architectures. The product is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring optimal performance in sensitive applications. Store in a cool, dry place under inert conditions to maintain stability.

Key applications include the synthesis of bioactive molecules, agrochemicals, and functional materials. Its compatibility with a wide range of reaction conditions and substrates makes it a valuable tool for researchers in medicinal chemistry and material science. Each batch undergoes rigorous QC testing, including NMR and LC-MS analysis, to guarantee consistency and reliability.

Properties

• CAS Number: 872041-85-5
• Complexity: 114
• IUPAC Name: (5-chloro-3-pyridyl)boronic acid
• InChI: InChI=1S/C5H5BClNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H
• InChI Key: NJXYBTMCTZAUEE-UHFFFAOYSA-N
• Exact Mass: 157.0101863
• Molecular Formula: C5H5BClNO2
• Molecular Weight: 157.36
• SMILES: B(C1=CC(=CN=C1)Cl)(O)O
• Topological: 53.4
• Monoisotopic Mass: 157.0101863
• Synonyms: 5-Chloropyridine-3-boronic acid, 677-212-0, 872041-85-5, (5-chloropyridin-3-yl)boronic acid, 5-CHLORO-3-PYRIDINEBORONIC ACID, 3-Chloropyridine-5-boronic acid, 5-Chloropyridin-3-ylboronic acid, (5-CHLORO-3-PYRIDYL)BORONIC ACID, MFCD06798243, 5-Chloro-3-pyridinyl boronic acid, SCHEMBL315514, 5-chloro3-pyridinyl boronic acid, DTXSID70602590, 5-chloropyridine-3-ylboronic acid, NJXYBTMCTZAUEE-UHFFFAOYSA-N, (5-chloropyridin-3-yl)boronicacid, 5-chloropyridin-3-yl boronic acid, BCP21926, BBL102093, STL555892, AKOS015856098, AB29845, BS-2123, CS-W000997, AC-26392, BP-11078, FC160837, SY043355, 5-Chloro-3-pyridineboronic acid, >=95%, DB-000493, EN300-7088327

Application

5-Chloropyridine-3-boronic acid is widely used in Suzuki-Miyaura cross-coupling reactions to construct biaryl and heteroaryl compounds, critical in drug discovery and material science. It serves as a key intermediate in the synthesis of pharmaceuticals, such as kinase inhibitors and antiviral agents. The chloropyridine moiety enhances binding affinity in target molecules, while the boronic acid group enables efficient coupling with aryl halides. Researchers also employ it in the development of OLED materials and ligands for catalytic systems.

Safety and Hazards

GHS Hazard Statements

• H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (95.9%): 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%)
• Eye Irrit. 2 (98%)
• STOT SE 3 (95.9%)

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