Description

1-(Isopropylsulfonyl)-2-nitrobenzene (CAS No. 70415-86-0) is a high-purity organic compound with the molecular formula C₉H₁₁NO₄S. This specialized chemical features a nitrobenzene core substituted with an isopropylsulfonyl group, making it a valuable intermediate for pharmaceutical synthesis, agrochemical development, and advanced material research. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC), with trace impurities minimized for critical applications. Supplied as a crystalline solid with a consistent melting point range, it is packaged under inert conditions to guarantee stability. Technical data including NMR, MS, and FTIR spectra are available upon request for analytical verification. Suitable for use in Suzuki couplings, nucleophilic substitutions, and other fine chemical transformations where a reactive nitroarene is required.

Properties

• CAS Number: 70415-86-0
• Complexity: 325
• IUPAC Name: 1-isopropylsulfonyl-2-nitro-benzene
• InChI: InChI=1S/C9H11NO4S/c1-7(2)15(13,14)9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3
• InChI Key: GBFWDLQEEMHXME-UHFFFAOYSA-N
• Exact Mass: 229.04087901
• Molecular Formula: C9H11NO4S
• Molecular Weight: 229.26
• SMILES: CC(C)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]
• Topological: 88.3
• Monoisotopic Mass: 229.04087901
• Synonyms: 1-(Isopropylsulfonyl)-2-nitrobenzene, 70415-86-0, 1-nitro-2-propan-2-ylsulfonylbenzene, 1-(Isopropylsulphonyl)-2-nitrobenzene, 1-Nitro-2-(propane-2-sulfonyl)benzene, MFCD13689001, SCHEMBL819388, DTXSID40500690, BCP18380, AKOS025402943, 1-Nitro-2-(propane-2-sulfonyl)-benzene, AS-62851, SY123309, DB-336871, CS-0010401

This compound serves as a key building block in medicinal chemistry for the synthesis of sulfonamide-based drug candidates targeting enzyme inhibition. Researchers employ it in heterocyclic compound formation, particularly in benzothiazole and benzoxazole derivatives. The electron-withdrawing nitro group enhances reactivity in palladium-catalyzed cross-coupling reactions. Industrial applications include development of specialty polymers with sulfone linkages for high-performance materials. Proper handling requires PPE due to potential irritant properties.

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