Description

2-(4′-Chlorobenzoyl)benzoic acid (CAS No. 85-56-3) is a high-purity organic compound with the molecular formula C₁₄H₉ClO₃. This white to off-white crystalline powder is widely used as a key intermediate in pharmaceutical synthesis, particularly in the production of nonsteroidal anti-inflammatory drugs (NSAIDs) and other active pharmaceutical ingredients (APIs). With a molecular weight of 260.67 g/mol, it exhibits excellent stability under standard laboratory conditions, making it ideal for research and industrial applications.

Our product is rigorously tested to ensure ≥98% purity (HPLC), with low levels of residual solvents and heavy metals, meeting stringent quality standards for laboratory and manufacturing use. It is soluble in organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO), but has limited solubility in water. Proper storage in a cool, dry place (<25°C) in tightly sealed containers is recommended to maintain its integrity.

This compound is particularly valued for its role in synthesizing chlorobenzoyl derivatives and as a building block for complex organic molecules. Researchers and scientists will appreciate its consistent quality, detailed technical data (including NMR and MS spectra upon request), and compliance with global regulatory requirements (REACH, TSCA, etc.).

Properties

• CAS Number: 85-56-3
• Complexity: 321
• IUPAC Name: 2-(4-chlorobenzoyl)benzoic acid
• InChI: InChI=1S/C14H9ClO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)
• InChI Key: YWECCEXWKFHHQJ-UHFFFAOYSA-N
• Exact Mass: 260.0240218
• Molecular Formula: C14H9ClO3
• Molecular Weight: 260.67
• SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)O
• Topological: 54.4
• Monoisotopic Mass: 260.0240218
• Synonyms: 2-(4-Chlorobenzoyl)benzoic acid, 85-56-3, Benzoic acid, 2-(4-chlorobenzoyl)-, o-(p-Chlorobenzoyl)benzoic acid, 2-(4′-chlorobenzoyl)benzoic acid, 2-(p-Chlorobenzoyl)benzoic acid, o-(4-Chlorobenzoyl)benzoic acid, Benzoic acid, o-(p-chlorobenzoyl)-, 3U7W4YOY3R, NSC 7825, NSC-7825, EINECS 201-615-9, AI3-15224, DTXSID1058927, 60839-51-2, 4-CHLOROBENZOPHENONE-2′-CARBOXYLIC ACID, DTXCID7048453, Benzoic acid, o-(p-chlorobenzoyl)-(8CI), 201-615-9, MFCD00002474, 4′-Chlorobenzophenone-2-carboxylic acid, CHEMBL81936, 2-(4-Chloro-benzoyl)-benzoic acid, 2-[(4-chlorophenyl)carbonyl]benzoic acid, p-Chlorobenzoylbenzoic acid, 2-(4-Chlorobenzoyl)benzoicAcid, UNII-3U7W4YOY3R, 4-Chlorobenzoylbenzoic acid, Oprea1_123398, MLS000776970, SCHEMBL1247787, 0-(p-chlorobenzoyl)benzoic acid, NIOSH/DG4976790, NSC7825, 2-(p-chlorobenzoyl) benzoic acid, o-(4-chlorobenzoyl)-benzoic acid, 2-(4-chlorobenzoyl) benzoic acid, 2-(4-chlorobenzoyl)-benzoic acid, Benzoic acid, (4-chlorobenzoyl)-, HMS2770E11, AC1414, BBL010294, BDBM50129030, SBB003088, STK366819, AKOS000119017, CS-W009453, 2-(4-Chlorobenzoyl)benzoic acid, 98%, NCGC00246436-01, AC-10729, AS-17258, SMR000413365, SY007527, 1-carboxy-2-(4-chlorophenylcarbonyl)benzene, DG49767900, NS00038980, ST50146739, EN300-19298, AH-034/32851040, Q27258040, Z104473452

2-(4′-Chlorobenzoyl)benzoic acid serves as a critical intermediate in the synthesis of pharmaceutical compounds, including NSAIDs and other therapeutic agents. It is utilized in organic synthesis for constructing benzophenone-based scaffolds and as a precursor for specialty chemicals. Researchers employ this compound in drug discovery and material science due to its reactive carbonyl and carboxyl functional groups. Its stability and purity make it suitable for high-yield reactions in both academic and industrial settings.

Safety and Hazards

GHS Hazard Statements

• H302 (60.5%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (98.2%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (98.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.4%): 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 (60.5%)
• Skin Irrit. 2 (98.2%)
• Eye Irrit. 2A (98.2%)
• STOT SE 3 (97.4%)

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