Description

1-Nitro-2-(phenylsulfonyl)benzene (CAS No. 31515-43-2) is a high-purity sulfone derivative with the molecular formula C₁₂H₉NO₄S. This compound, also known as 2-Nitrophenyl phenyl sulfone, is a valuable intermediate in organic synthesis and pharmaceutical research. Its structure features a nitro group and a phenylsulfonyl moiety, making it a versatile building block for nucleophilic aromatic substitution reactions and cross-coupling methodologies. The product is supplied as a crystalline solid with ≥95% purity (HPLC), ensuring consistency for research applications. It is ideal for use in ligand design, catalyst development, and the synthesis of complex heterocycles. Store in a cool, dry place away from light and oxidizing agents to maintain stability.

Properties

• CAS Number: 31515-43-2
• Complexity: 389
• IUPAC Name: 1-(benzenesulfonyl)-2-nitro-benzene
• InChI: InChI=1S/C12H9NO4S/c14-13(15)11-8-4-5-9-12(11)18(16,17)10-6-2-1-3-7-10/h1-9H
• InChI Key: GKNMUCPEXSCGKC-UHFFFAOYSA-N
• Exact Mass: 263.02522894
• Molecular Formula: C12H9NO4S
• Molecular Weight: 263.27
• SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]
• Topological: 88.3
• Monoisotopic Mass: 263.02522894
• Solubility: >39.5 [ug/mL]
• Synonyms: 31515-43-2, 1-Nitro-2-(phenylsulfonyl)benzene, 2-Nitrophenyl phenyl sulfone, 1-(benzenesulfonyl)-2-nitrobenzene, 2-Nitrodiphenyl Sulfone, 2-Nitro diphenyl sulfone, 2′-Nitrophenylphenylsulfone, Benzene, 1-nitro-2-(phenylsulfonyl)-, 1-Nitro-2-(phenylsulphonyl)benzene, o-Nitrophenyl phenyl sulfone, Sulfone, o-nitrophenyl phenyl, 2NO2Ph-SO2-Ph, DYJ48D3NKT, 144113-81-5, NSC-624231, NSC624231, 2-nitrophenylphenylsulfone, SMR000554655, 2-Nitrophenyl phenyl sulphone, EINECS 250-672-6, MFCD00035921, NSC 624231, 2-Nitrodiphenylsulfone, UNII-DYJ48D3NKT, 2′-Nitrophenylphenylsulphone, o-Nitrophenyl phenyl sulphone, MLS001074875, MLS001194868, Sulphone, o-nitrophenyl phenyl, BDBM2484, CHEMBL291558, SCHEMBL2041279, SCHEMBL6971370, DTXSID80932234, 2-nitro-1-(phenylsulfonyl)benzene, HMS2867D03, 2-Nitrophenyl phenyl sulfone, 97%, 1-(benzenesulfonyl)-2-nitro-benzene, 1-Nitro-2-(phenylsulfonyl)benzene #, 2-nitrophenyl phenyl sulfone (NPPS), AKOS001572921, FS-4079, Benzene, 1-nitro-2-(phenylsulphonyl)-, NCGC00245833-01, AC-11156, NCI60_007284, PD179460, ST092363, CS-0323623, EU-0034728, N0762, NS00052197, D91772, SR-01000400087, SR-01000400087-1, InChI=1/C12H9NO4S/c14-13(15)11-8-4-5-9-12(11)18(16,17)10-6-2-1-3-7-10/h1-9

Application

1-Nitro-2-(phenylsulfonyl)benzene is widely used as a precursor in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. Its electron-withdrawing sulfonyl and nitro groups facilitate reactions such as Suzuki-Miyaura couplings and SNAr transformations. Researchers employ this compound to develop novel sulfone-based ligands for transition-metal catalysis. It also serves as a model substrate in mechanistic studies of aromatic substitution reactions.

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