Cas no 1316652-69-3 (1-(2-azidoethyl)-3-chlorobenzene)

1-(2-Azidoethyl)-3-chlorobenzene is a versatile organic compound featuring both an azido (-N?) and a chloro (-Cl) functional group on an ethylbenzene backbone. The presence of these reactive moieties makes it a valuable intermediate in click chemistry, particularly in Cu(I)-catalyzed azide-alkyne cycloaddition (CuAAC) reactions, enabling efficient synthesis of triazole derivatives. Its chloro substituent further allows for selective substitution or cross-coupling reactions, enhancing its utility in pharmaceutical and materials science applications. The compound’s stability under standard conditions and compatibility with diverse reaction conditions make it a practical choice for researchers developing novel polymers, bioactive molecules, or functionalized materials. Proper handling is advised due to the potential explosivity of azido groups.
1-(2-azidoethyl)-3-chlorobenzene structure
1316652-69-3 structure
Product Name:1-(2-azidoethyl)-3-chlorobenzene
CAS No:1316652-69-3
MF:C8H8ClN3
MW:181.622220039368
CID:6309324
PubChem ID:71514217
Update Time:2025-06-07

1-(2-azidoethyl)-3-chlorobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-(2-azidoethyl)-3-chlorobenzene
    • CHEMBL3236154
    • EN300-1997363
    • 1316652-69-3
    • SCHEMBL21594393
    • Inchi: 1S/C8H8ClN3/c9-8-3-1-2-7(6-8)4-5-11-12-10/h1-3,6H,4-5H2
    • InChI Key: LJURTTRYYKQLGW-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1)CCN=[N+]=[N-]

Computed Properties

  • Exact Mass: 181.0406750g/mol
  • Monoisotopic Mass: 181.0406750g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 177
  • 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: 14.4?2

1-(2-azidoethyl)-3-chlorobenzene Pricemore >>

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