Cas no 4967-77-5 (Methyl 1H-1,2,3-triazole-4-carboxylate)

Methyl 1H-1,2,3-triazole-4-carboxylate structure
4967-77-5 structure
Product Name:Methyl 1H-1,2,3-triazole-4-carboxylate
CAS No:4967-77-5
MF:C4H5N3O2
MW:127.101400136948
MDL:MFCD16878883
CID:1027608
PubChem ID:5245764
Update Time:2025-04-20

Methyl 1H-1,2,3-triazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 1H-1,2,3-triazole-4-carboxylate
    • 1H-1,2,3-Triazole-5-carboxylic acid methyl ester
    • 1H-1,2,3-Triazole-4-carboxylic acid, methyl ester
    • Methyl 1,2,3-Triazole-4-carboxylate
    • Methyl 2h-1,2,3-Triazole-4-Carboxylate
    • 2H-1,2,3-Triazole-4-carboxylic acid, methyl ester
    • Methyl 1H-1,2,3-triazole-5-carboxylate
    • Methyl 2H-triazole-4-carboxylate
    • PubChem19241
    • methyl 1H-triazole-5-carboxylate
    • FZXQUCUWEZQIHL-UHFFFAOYSA-N
    • Methyl 1H-triazole-4-carboxylate
    • EN300-51644
    • 877309-59-6
    • DB-088285
    • DTXSID60412928
    • AKOS028108776
    • Z803145208
    • CS-W006657
    • DB-071030
    • AMY20525
    • AB01005629-01
    • 4967-77-5
    • A871754
    • Methyl 1 pound not2 pound not3-Triazole-4-carboxylate
    • MFCD16878883
    • O11878
    • Methyl2h-1,2,3-Triazole-4-Carboxylate
    • Q27465742
    • 2H-1,2,3-Triazole-4-carboxylic acid, methyl ester (9CI)
    • STL192422
    • SCHEMBL2210189
    • AKOS009248416
    • BS-3760
    • MFCD12912989
    • SY008373
    • DTXCID10363779
    • MDL: MFCD16878883
    • Inchi: 1S/C4H5N3O2/c1-9-4(8)3-2-5-7-6-3/h2H,1H3,(H,5,6,7)
    • InChI Key: FZXQUCUWEZQIHL-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=NNN=1)=O

Computed Properties

  • Exact Mass: 127.03825
  • Monoisotopic Mass: 127.038176411g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 116
  • 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
  • Topological Polar Surface Area: 67.9
  • XLogP3: -0.2

Experimental Properties

  • Density: 1.380±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 140-141 oC
  • Boiling Point: 279.3±13.0 oC (760 Torr),
  • Flash Point: 122.7±19.8 oC,
  • Refractive Index: 1.534
  • Solubility: Slightly soluble (27 g/l) (25 o C),
  • PSA: 67.87

Methyl 1H-1,2,3-triazole-4-carboxylate Security Information

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