Cas no 90408-05-2 (ethyl 2-azidobenzoate)

Ethyl 2-azidobenzoate is a versatile organic compound commonly used as a key intermediate in synthetic chemistry, particularly in click chemistry and heterocycle synthesis. Its azido group enables efficient participation in Huisgen cycloaddition reactions, facilitating the formation of triazole derivatives. The ester functionality further enhances its reactivity, allowing for subsequent transformations such as hydrolysis or transesterification. This compound is valued for its stability under standard conditions and its compatibility with a range of solvents, making it suitable for diverse applications in pharmaceutical and materials research. Its well-defined reactivity profile ensures reliable performance in multi-step synthetic routes.
ethyl 2-azidobenzoate structure
ethyl 2-azidobenzoate structure
Product Name:ethyl 2-azidobenzoate
CAS No:90408-05-2
MF:C9H9N3O2
MW:191.186661481857
MDL:MFCD24453026
CID:4301540
PubChem ID:13148687
Update Time:2025-11-02

ethyl 2-azidobenzoate Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-azido-, ethyl ester
    • ethyl2-azidobenzoate
    • AKOS040814981
    • F2157-0559
    • 90408-05-2
    • G54035
    • EN300-8757417
    • ethyl 2-azidobenzoate
    • MDL: MFCD24453026
    • Inchi: 1S/C9H9N3O2/c1-2-14-9(13)7-5-3-4-6-8(7)11-12-10/h3-6H,2H2,1H3
    • InChI Key: RUFXXUICVBVRCX-UHFFFAOYSA-N
    • SMILES: C(C1C=CC=CC=1N=[N+]=[N-])(=O)OCC

Computed Properties

  • Exact Mass: 191.069476538Da
  • Monoisotopic Mass: 191.069476538Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 248
  • 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: 3.7
  • Topological Polar Surface Area: 40.7?2

ethyl 2-azidobenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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$101.0 2025-03-21
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Enamine
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Enamine
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