Description

2-Acetylbenzoic Acid (CAS 577-56-0) is a high-purity organic compound with the molecular formula C₉H₈O₃, widely utilized in pharmaceutical, agrochemical, and material science research. This white to off-white crystalline powder exhibits a melting point range of 98-102°C and is soluble in common organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO). With an IUPAC name of 2-acetylbenzoic acid, this compound serves as a versatile building block for synthesizing heterocyclic compounds, coordination complexes, and specialty chemicals. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied with comprehensive analytical documentation including HPLC chromatograms, MSDS, and NMR spectra. Suitable for use as a precursor in medicinal chemistry, catalyst development, and polymer research, this compound is packaged under inert atmosphere to guarantee stability and longevity.

Properties

• CAS Number: 577-56-0
• Complexity: 198
• IUPAC Name: 2-acetylbenzoic acid
• InChI: InChI=1S/C9H8O3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3,(H,11,12)
• InChI Key: QDAWXRKTSATEOP-UHFFFAOYSA-N
• Exact Mass: 164.047344113
• Molecular Formula: C9H8O3
• Molecular Weight: 164.16
• SMILES: CC(=O)C1=CC=CC=C1C(=O)O
• Topological: 54.4
• Monoisotopic Mass: 164.047344113
• Synonyms: 2-Acetylbenzoic acid, 577-56-0, Benzoic acid, 2-acetyl-, Acetophenone-2-carboxylic acid, EINECS 209-413-2, AI3-22133, DTXSID00206404, NSC 407680, 2-acetylbenzoate, DTXCID60128895, 209-413-2, qdawxrktsateop-uhfffaoysa-n, o-Acetylbenzoic acid, Benzoic acid, acetyl-, MFCD00002475, 2-AcetYl-Benzoic Acid, CHEMBL3629240, 2-Acetylbenzoicacid, 2′-Acetophenonecarboxylic Acid, o-acetyl-benzoic acid, 2- acetylbenzoic acid, 2-acetyl benzoic acid, 2′-carboxyacetophenone, A1BVZ, 2-Acetylbenzoic acid, 99%, SCHEMBL286653, 2-(1′-oxoethyl)benzoic acid, SCHEMBL9478101, 1-carboxy-2-methylcarbonylbenzene, HY-N1717, BDBM50129079, CK2176, NSC407680, SBB038601, STK397360, AKOS000266853, FA05086, FS-2418, NSC-407680, AC-24657, SY010556, A1075, CS-0017379, NS00033780, ST45053914, EN300-25493, Z57158791, F1037-0449

Application

2-Acetylbenzoic acid serves as a key intermediate in the synthesis of pharmaceutically active compounds, particularly non-steroidal anti-inflammatory drugs (NSAIDs) and anticoagulants. In material science, it functions as a ligand precursor for transition metal catalysts used in polymerization reactions. The compound’s bifunctional nature (ketone and carboxylic acid moieties) makes it valuable for constructing complex heterocyclic systems in medicinal chemistry research.

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