Cas no 691363-31-2 (1-ethyl-1H-1,2,3-benzotriazole-5-carboxylic acid)

1-ethyl-1H-1,2,3-benzotriazole-5-carboxylic acid structure
691363-31-2 structure
Product Name:1-ethyl-1H-1,2,3-benzotriazole-5-carboxylic acid
CAS No:691363-31-2
MF:C9H9N3O2
MW:191.186661481857
MDL:MFCD05270868
CID:1089867
PubChem ID:2103992
Update Time:2025-04-20

1-ethyl-1H-1,2,3-benzotriazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Ethyl-1H-benzo[d][1,2,3]triazole-5-carboxylic acid
    • 1-ETHYL-1H-1,2,3-BENZOTRIAZOLE-5-CARBOXYLIC ACID
    • 1-ethylbenzotriazole-5-carboxylic acid
    • SMR000364664
    • MFCD05270868
    • SCHEMBL6044058
    • DTXSID80366535
    • 691363-31-2
    • D82725
    • AKOS000211023
    • EN300-09521
    • HMS2756J17
    • CS-0186336
    • BDBM50475633
    • CHEMBL440217
    • 1-Ethyl-1H-benzo[d][1,2,3]triazole-5-carboxylicacid
    • MLS000773826
    • Z56346996
    • YFLSBGGTASGZIL-UHFFFAOYSA-N
    • HMS1732G22
    • BS-29276
    • 1-ethyl-1H-benzotriazole-5-carboxylic acid
    • DB-201793
    • 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylic acid
    • MDL: MFCD05270868
    • Inchi: 1S/C9H9N3O2/c1-2-12-8-4-3-6(9(13)14)5-7(8)10-11-12/h3-5H,2H2,1H3,(H,13,14)
    • InChI Key: YFLSBGGTASGZIL-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC2=C(C=1)N=NN2CC)=O

Computed Properties

  • Exact Mass: 191.069476538g/mol
  • Monoisotopic Mass: 191.069476538g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 234
  • 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: 1.1
  • Topological Polar Surface Area: 68?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 428.4±18.0 °C at 760 mmHg
  • Flash Point: 212.9±21.2 °C
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

1-ethyl-1H-1,2,3-benzotriazole-5-carboxylic acid Security Information

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