Description

(2-Chloro-6-hydroxyphenyl)boronic acid (CAS No. 958646-70-3) is a high-purity boronic acid derivative with the molecular formula C₆H₆BClO₃. This compound is a versatile building block in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, due to its reactive boronic acid functional group. The presence of both chloro and hydroxy substituents on the phenyl ring enhances its utility in designing complex molecular architectures. Ideal for pharmaceutical research, material science, and agrochemical development, this reagent is rigorously tested for quality and consistency. Available in various packaging options to suit laboratory-scale and industrial applications.

Properties

• CAS Number: 958646-70-3
• Complexity: 133
• IUPAC Name: (2-chloro-6-hydroxy-phenyl)boronic acid
• InChI: InChI=1S/C6H6BClO3/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,9-11H
• InChI Key: HPTKHPAGOMESFW-UHFFFAOYSA-N
• Exact Mass: 172.0098519
• Molecular Formula: C6H6BClO3
• Molecular Weight: 172.37
• SMILES: B(C1=C(C=CC=C1Cl)O)(O)O
• Topological: 60.7
• Monoisotopic Mass: 172.0098519
• Synonyms: 958646-70-3, (2-Chloro-6-hydroxyphenyl)boronic acid, DTXSID20716595, DTXCID70667341, 2-Chloro-6-hydroxyphenylboronic acid, 6-Chloro-2-hydroxyphenylboronic acid, MFCD18393225, (2-Chloro-6-hydroxyphenyl)boronicacid, (2-Chloro-6-hydroxyphenyl)boronic acid;6-Chloro-2-hydroxyphenylboronic acid, 2-Chloro-6-hydroxybenzeneboronic acid, SCHEMBL15475697, HPTKHPAGOMESFW-UHFFFAOYSA-N, ZB0611, AKOS015893173, AC-31964, AS-62610, SY270698, DS-000046, CS-0099404, H11802

Application

(2-Chloro-6-hydroxyphenyl)boronic acid is widely used as a key intermediate in the synthesis of bioactive compounds and pharmaceuticals. Its boronic acid group facilitates efficient cross-coupling reactions, enabling the construction of biaryl structures. Researchers also employ it in the development of sensors and catalysts due to its unique electronic properties. The compound’s chloro and hydroxy groups offer additional sites for further functionalization, expanding its utility in medicinal chemistry.

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. 2 (100%)
• STOT SE 3 (100%)

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