Description

1-(5-Methyl-2-nitrophenyl)ethanone (CAS No. 69976-70-1) is a high-purity organic compound with the molecular formula C₉H₉NO₃. This nitrophenyl derivative is a valuable intermediate in synthetic organic chemistry, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its IUPAC name, 1-(5-methyl-2-nitrophenyl)ethanone, reflects its structural features: a methyl-substituted nitrophenyl ring with an acetyl functional group at the 1-position. This compound is characterized by its pale yellow to amber crystalline appearance and is supplied with a guaranteed purity of ≥97% (GC). It is stored under inert conditions to ensure stability and longevity. Ideal for research and development applications, this chemical is packaged in amber glass vials or sealed containers to protect it from light and moisture.

Properties

• CAS Number: 69976-70-1
• Complexity: 221
• IUPAC Name: 1-(5-methyl-2-nitro-phenyl)ethanone
• InChI: InChI=1S/C9H9NO3/c1-6-3-4-9(10(12)13)8(5-6)7(2)11/h3-5H,1-2H3
• InChI Key: QTVGOWDJTGISJG-UHFFFAOYSA-N
• Exact Mass: 179.058243149
• Molecular Formula: C9H9NO3
• Molecular Weight: 179.17
• SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)C
• Topological: 62.9
• Monoisotopic Mass: 179.058243149
• Synonyms: 1-(5-Methyl-2-nitrophenyl)ethanone, 69976-70-1, 1-(5-methyl-2-nitrophenyl)ethan-1-one, Ethanone, 1-(5-methyl-2-nitrophenyl)-, MFCD11046202, 1-(5-methyl-2-nitro-phenyl)ethanone, SCHEMBL1277039, QTVGOWDJTGISJG-UHFFFAOYSA-N, 1-(5-methyl-2-nitrophenyl) ethanone, AKOS006309183, CH-0704, 1-(5-Methyl-2-nitro-phenyl)-ethanone, DB-300718, CS-0097351, I11107, EN300-1849377

Application

1-(5-Methyl-2-nitrophenyl)ethanone serves as a versatile building block in organic synthesis, particularly in the development of pharmaceutical intermediates and fine chemicals. Researchers utilize this compound in the synthesis of heterocyclic compounds and as a precursor for further functionalization via reduction or substitution reactions. Its nitrophenyl and acetyl groups make it suitable for exploring structure-activity relationships in medicinal chemistry. Additionally, it may be employed in material science for the preparation of nitroaromatic-based polymers or dyes.

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