Description

2-(4-Chloro-3-nitrobenzoyl)benzoic acid (CAS No. 85-54-1) is a high-purity nitro-substituted benzoylbenzoic acid derivative with the molecular formula C₁₄H₈ClNO₅. This yellow crystalline powder (MW: 305.67 g/mol) is a versatile synthetic intermediate for pharmaceutical and organic synthesis applications. The compound features both a reactive benzoyl group and a carboxylic acid moiety, making it ideal for conjugation reactions and heterocyclic compound synthesis. Our product is analytically validated by HPLC (>98% purity) and supplied with full spectroscopic data (FTIR, NMR, MS). Proper storage conditions (room temperature, inert atmosphere) ensure long-term stability of this light-sensitive compound. Available in research (5g, 25g) and bulk (100g, 1kg) quantities with customizable packaging options.

Properties

• CAS Number: 85-54-1
• Complexity: 436
• IUPAC Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid
• InChI: InChI=1S/C14H8ClNO5/c15-11-6-5-8(7-12(11)16(20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)
• InChI Key: RITAQDHCJBLSSL-UHFFFAOYSA-N
• Exact Mass: 305.0091000
• Molecular Formula: C14H8ClNO5
• Molecular Weight: 305.67
• SMILES: C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O
• Topological: 100
• Monoisotopic Mass: 305.0091000
• Synonyms: 2-(4-Chloro-3-nitrobenzoyl)benzoic acid, 85-54-1, Benzoic acid, 2-(4-chloro-3-nitrobenzoyl)-, 3′-Nitro-4′-chlorobenzoylbenzoic acid, NSC-15366, 8GY4PM962I, Benzoic acid, o-(4-chloro-3-nitrobenzoyl)-, EINECS 201-613-8, NSC 15366, UNII-8GY4PM962I, DTXSID1058925, 2-(3-nitro-4-chlorobenzoyl)benzoic acid, o-(4-Chloro-3-nitrobenzoyl)benzoic acid, DTXCID7048451, Benzoic acid, o-(4-chloro-3-nitrobenzoyl)-(8CI), 201-613-8, ritaqdhcjblssl-uhfffaoysa-n, 2-(4-Chloranyl-3-Nitro-Phenyl)carbonylbenzoic Acid, C14H8ClNO5, 2-[(4-chloro-3-nitrophenyl)carbonyl]benzoic acid, 2-(3-Nitro-4-chlorobenzoyl)benzoic acid; 2-(4′-Chloro-3′-nitrobenzoyl)benzoic acid; 2-[(4-Chloro-3-nitrophenyl)carbonyl]benzoic acid; 3′-Nitro-4′-chlorobenzoylbenzoic acid; 4-Chloro-3-nitrobenzophenone-2′-carboxylic acid; NSC 15366, 9FN, NSC15366, MFCD00007082, SCHEMBL1285789, CHEMBL2059070, SCHEMBL19334467, SBB028602, AKOS001019089, FC70862, 2-(4-Chloro-3-nitrobenzoyl)benzoicacid, AS-14264, NS00038970, ST45021660, 2-(4′-chloro-3′-nitrobenzoyl) benzoic acid, EN300-16975, E78104, 2-(4-Chloro-3-nitrobenzoyl)benzoic acid, 98%, 4-Chloro-3-nitrobenzophenone-2′-carboxylic Acid, SR-01000597240, SR-01000597240-1, Z56845271, F0850-6872

Application

This compound serves as a key precursor in the synthesis of anthraquinone dyes and pharmaceutical intermediates. Researchers utilize its reactive sites for developing novel heterocyclic compounds with potential biological activity. The nitro and chloro substituents make it particularly valuable for nucleophilic aromatic substitution reactions in medicinal chemistry programs.

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 (97.7%): 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 (97.7%)

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