Cas no 120723-06-0 (methyl 1H-1,2,3-benzotriazole-4-carboxylate)

methyl 1H-1,2,3-benzotriazole-4-carboxylate structure
120723-06-0 structure
Product Name:methyl 1H-1,2,3-benzotriazole-4-carboxylate
CAS No:120723-06-0
MF:C8H7N3O2
MW:177.160081148148
MDL:MFCD09749676
CID:104930
PubChem ID:14534406
Update Time:2025-04-18

methyl 1H-1,2,3-benzotriazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzotriazole-7-carboxylicacid, methyl ester
    • 1H-BENZOTRIAZOLE-4-CARBOXYLIC ACID METHYL ESTER
    • methyl 1H-1,2,3-benzotriazole-7-carboxylate
    • methyl 2H-benzotriazole-4-carboxylate
    • 3H-benzotriazole-4-carboxylic acid methyl ester
    • methyl 1H-1,2,3-benzotriazole-4-carboxylate
    • 1H-Benzotriazolecarboxylic acid, methyl ester
    • DSQFYUWSAZEJBL-UHFFFAOYSA-N
    • F74994
    • AKOS005254830
    • EN300-219465
    • DTXSID00561383
    • 120723-06-0
    • Methyl 1H-benzo[d][1,2,3]triazole-7-carboxylate
    • SCHEMBL717583
    • Methyl1H-benzo[d][1,2,3]triazole-7-carboxylate
    • Methyl 1H-benzo[d][1,2,3]triazole-4-carboxylate
    • 4-carbomethoxybenzotriazole
    • MFCD09749676
    • MDL: MFCD09749676
    • Inchi: 1S/C8H7N3O2/c1-13-8(12)5-3-2-4-6-7(5)10-11-9-6/h2-4H,1H3,(H,9,10,11)
    • InChI Key: DSQFYUWSAZEJBL-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC=CC2C1=NNN=2)=O

Computed Properties

  • Exact Mass: 177.05400
  • Monoisotopic Mass: 177.053826475g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 210
  • 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: 0.9
  • Topological Polar Surface Area: 67.9?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 413.6±18.0 °C at 760 mmHg
  • Flash Point: 203.9±21.2 °C
  • Refractive Index: 1.658
  • PSA: 67.87000
  • LogP: 0.74450
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

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