Description

4-Acetoxybenzeneboronic acid (CAS: 177490-82-3) is a high-purity boronic acid derivative with the molecular formula C₈H₉BO₄. This compound is widely utilized in organic synthesis, pharmaceutical research, and materials science due to its reactive boronic acid functional group, which enables Suzuki-Miyaura cross-coupling reactions and other key transformations. The acetoxy substituent enhances its solubility and reactivity in various organic solvents, making it a versatile intermediate for synthesizing complex molecules. Available in >95% purity, this product is rigorously tested via HPLC, NMR, and mass spectrometry to ensure consistency and performance. Ideal for researchers and scientists working on drug discovery, polymer chemistry, and advanced material development.

Properties

• CAS Number: 177490-82-3
• Complexity: 175
• IUPAC Name: (4-acetoxyphenyl)boronic acid
• InChI: InChI=1S/C8H9BO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5,11-12H,1H3
• InChI Key: VILXJXDXZGKJLU-UHFFFAOYSA-N
• Exact Mass: 180.0593889
• Molecular Formula: C8H9BO4
• Molecular Weight: 179.97
• SMILES: B(C1=CC=C(C=C1)OC(=O)C)(O)O
• Topological: 66.8
• Monoisotopic Mass: 180.0593889
• Synonyms: 4-Acetoxybenzeneboronic acid, 688-399-3, 177490-82-3, 4-Acetoxyphenylboronic acid, (4-Acetoxyphenyl)boronic acid, (4-acetyloxyphenyl)boronic acid, Boronic acid, B-[4-(acetyloxy)phenyl]-, [4-(Acetyloxy)phenyl]boronic acid, MFCD09027198, Boronic acid, [4-(acetyloxy)phenyl]-, (4-Acetoxyphenyl)boronicacid, 4-Acetyloxyphenylboronic acid, SCHEMBL2717810, DTXSID90657300, AKOS006344729, DS-16468, SY051069, A2818, CS-0155019, 4-Acetoxyphenylboronic acid(contains varying amounts of Anhydride)

4-Acetoxybenzeneboronic acid is primarily used as a building block in Suzuki-Miyaura cross-coupling reactions to form biaryl compounds, a critical step in pharmaceutical and agrochemical synthesis. It also serves as a key intermediate in the preparation of boron-containing polymers and sensors. Its acetoxy group allows for further functionalization, enabling the development of tailored organic materials. Researchers leverage its stability and reactivity in aqueous and organic media for catalytic applications.

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 (83.3%): 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. 2 (100%)
• STOT SE 3 (83.3%)

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