Cas no 70938-42-0 (1H-1,2,3-benzotriazole-6-carbaldehyde)

1H-1,2,3-Benzotriazole-6-carbaldehyde is a versatile heterocyclic aldehyde compound featuring a benzotriazole core functionalized with a formyl group at the 6-position. This compound is of significant interest in organic synthesis and pharmaceutical chemistry due to its dual functionality, combining the reactivity of an aldehyde with the electron-deficient nature of the benzotriazole moiety. The benzotriazole scaffold enhances stability and offers potential for further derivatization, making it valuable as a building block for the development of bioactive molecules, ligands, or functional materials. Its high purity and well-defined structure ensure reproducibility in synthetic applications. The compound's unique electronic properties also make it suitable for studies in coordination chemistry and as a precursor for fluorescent probes or corrosion inhibitors.
1H-1,2,3-benzotriazole-6-carbaldehyde structure
70938-42-0 structure
Product Name:1H-1,2,3-benzotriazole-6-carbaldehyde
CAS No:70938-42-0
MF:C7H5N3O
MW:147.134100675583
MDL:MFCD08704415
CID:853223
PubChem ID:11600692
Update Time:2025-07-02

1H-1,2,3-benzotriazole-6-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1H-BENZO[D][1,2,3]TRIAZOLE-5-CARBALDEHYDE
    • 2H-benzotriazole-5-carbaldehyde
    • 1H-1,2,3-benzotriazole-5-carbaldehyde
    • 1H-benzo[1,2,3]triazole-5-carbaldehyde
    • 1H-benzotriazole-5-carboxaldehyde
    • 1H-benztriazole-5-carbaldehyde
    • 5(6)-Formyl-1H-benzotriazol
    • 5-carboxaldehyde-1H-benzotriazole
    • AGN-PC-00CF49
    • CTK5D3199
    • QC-5061
    • 1H-1,2,3-benzotriazole-6-carbaldehyde
    • 70938-42-0
    • GJBWJHRJXRTAIC-UHFFFAOYSA-N
    • Z1079086434
    • 6-formyl-1H-benzotriazole
    • AB48534
    • AKOS006229119
    • EN300-69797
    • 1H-benzo[d][1,2,3]triazole-6-carbaldehyde
    • SCHEMBL1419004
    • DTXSID10469220
    • MDL： MFCD08704415
    • Inchi： 1S/C7H5N3O/c11-4-5-1-2-6-7(3-5)9-10-8-6/h1-4H,(H,8,9,10)
    • InChI Key： GJBWJHRJXRTAIC-UHFFFAOYSA-N
    • SMILES： O=CC1C=CC2C(C=1)=NNN=2

Computed Properties

  • Exact Mass: 147.04300
  • Monoisotopic Mass: 147.043261791g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 162
  • 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: 0.5
  • Topological Polar Surface Area: 58.6?2

Experimental Properties

  • PSA: 58.64000
  • LogP: 0.77040

1H-1,2,3-benzotriazole-6-carbaldehyde Pricemore >>

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