Cas no 58332-81-3 (Isoxazole, 5-methyl-3-(3-nitrophenyl)-)

5-Methyl-3-(3-nitrophenyl)isoxazole is a heterocyclic compound featuring an isoxazole core substituted with a methyl group at the 5-position and a 3-nitrophenyl moiety at the 3-position. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis and pharmaceutical research. The electron-withdrawing nitro group enhances its utility in nucleophilic substitution and cyclization reactions, while the isoxazole ring contributes to its stability and potential bioactivity. Its well-defined molecular framework allows for precise modifications, facilitating the development of novel agrochemicals, pharmaceuticals, and functional materials. The compound is typically characterized by high purity and consistent performance in synthetic applications.
Isoxazole, 5-methyl-3-(3-nitrophenyl)- structure
58332-81-3 structure
Product Name:Isoxazole, 5-methyl-3-(3-nitrophenyl)-
CAS No:58332-81-3
MF:C10H8N2O3
MW:204.18212223053
CID:4049509
PubChem ID:3356096
Update Time:2025-06-08

Isoxazole, 5-methyl-3-(3-nitrophenyl)- Chemical and Physical Properties

Names and Identifiers

    • Isoxazole, 5-methyl-3-(3-nitrophenyl)-
    • 5-Methyl-3-(3-nitrophenyl)isoxazole
    • DB-155503
    • 58332-81-3
    • SCHEMBL20501822
    • Inchi: 1S/C10H8N2O3/c1-7-5-10(11-15-7)8-3-2-4-9(6-8)12(13)14/h2-6H,1H3
    • InChI Key: GFOUWBJNFMEVQH-UHFFFAOYSA-N
    • SMILES: O1C(C)=CC(C2C=CC=C(C=2)[N+](=O)[O-])=N1

Computed Properties

  • Exact Mass: 204.05349212g/mol
  • Monoisotopic Mass: 204.05349212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 241
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 71.8?2

Isoxazole, 5-methyl-3-(3-nitrophenyl)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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EN300-9489763-1.0g
5-methyl-3-(3-nitrophenyl)-1,2-oxazole
58332-81-3 95%
1.0g
$0.0 2023-01-05
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