Description

3,5-Dinitrobenzoyl chloride (CAS No. 99-33-2) is a high-purity organic compound with the molecular formula C₇H₃ClN₂O₅, widely used in chemical synthesis and analytical applications. This reagent is characterized by its reactive benzoyl chloride group flanked by two nitro substituents at the 3 and 5 positions, making it a versatile intermediate for derivatization reactions. It is supplied as a crystalline solid with stringent quality controls to ensure consistency in reactivity and purity, ideal for laboratory and industrial-scale processes. Suitable for use under inert conditions due to its moisture sensitivity, it is packaged in sealed containers to maintain stability. Researchers rely on this compound for its precision in modifying substrates, particularly in pharmaceuticals and material science.

Properties

• CAS Number: 99-33-2
• Complexity: 275
• IUPAC Name: 3,5-dinitrobenzoyl chloride
• InChI: InChI=1S/C7H3ClN2O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H
• InChI Key: NNOHXABAQAGKRZ-UHFFFAOYSA-N
• Exact Mass: 229.9730489
• Molecular Formula: C7H3ClN2O5
• Molecular Weight: 230.56
• SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)Cl
• Topological: 109
• Monoisotopic Mass: 229.9730489
• Physical Description: Solid; Light yellow crystals;
• Synonyms: 3,5-Dinitrobenzoyl chloride, 99-33-2, BENZOYL CHLORIDE, 3,5-DINITRO-, 3,5-Dinitrobenzoic acid chloride, CCRIS 3137, 5JFA2DVM4D, NSC 2697, EINECS 202-750-6, BRN 0990249, AI3-08895, NSC-2697, DTXSID2059194, 4-09-00-01350 (Beilstein Handbook Reference), DINITROBENZOYL CHLORIDE, 3,5-, 3,5-DINITROBENZOYL CHLORIDE [MI], Benzoyl chloride, 3,5dinitro, 3,5Dinitrobenzoic acid chloride, DTXCID0049103, 202-750-6, 3,5-Dinitrobenzoylchloride, UNII-5JFA2DVM4D, 3,5-dinitrobenzoic chloride, Benzoyl chloride,5-dinitro-, SCHEMBL54880, CHEMBL2005426, NSC2697, STR01417, 3,5-Dinitrobenzoyl chloride, 98%, BBL011451, MFCD00007248, SBB058782, STL146563, AKOS005720907, 3,5-Dinitrobenzoyl chloride, >=98%, FD00410, AC-10854, NCI60_002195, DB-057778, A5511, D0825, NS00022924, ST51037977, F11284, 3,5-Dinitrobenzoic Acid Chloride; NSC 2697;, A846004, AB-131/40170939, Q223024, 3,5-Dinitrobenzoyl chloride, for HPLC derivatization, F1905-6975, 3,5-Dinitrobenzoyl chloride, for fluorescence, >=98.0% (AT), InChI=1/C7H3ClN2O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3

Application

3,5-Dinitrobenzoyl chloride is primarily employed as a derivatizing agent for alcohols, amines, and other nucleophiles in analytical chemistry, enhancing detection in chromatographic methods. It serves as a key intermediate in the synthesis of dyes, agrochemicals, and pharmaceutical compounds due to its electrophilic reactivity. The compound is also utilized in polymer chemistry to introduce nitro-functionalized aromatic groups into polymer backbones.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)

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