Cas no 78449-67-9 (1,4-Dimethyl-1H-imidazole-5-carboxylic acid)

1,4-Dimethyl-1H-imidazole-5-carboxylic acid structure
78449-67-9 structure
Product Name:1,4-Dimethyl-1H-imidazole-5-carboxylic acid
CAS No:78449-67-9
MF:C6H8N2O2
MW:140.139921188354
MDL:MFCD08063163
CID:1036683
PubChem ID:12685485
Update Time:2025-04-20

1,4-Dimethyl-1H-imidazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1,4-Dimethyl-1H-imidazole-5-carboxylic acid
    • 1,4-dimethyl-5-imidazolecarboxylic acid
    • 1H-Imidazole-5-carboxylic acid, 1,4-dimethyl-
    • 3,5-Dimethyl-3H-imidazol-4-carbonsaeure
    • 3,5-dimethyl-3H-imidazole-4-carboxylic acid
    • AK-43747
    • CTK2G5278
    • KB-216555
    • SureCN3054669
    • 3,5-di methyl-3h-imidazole-4-carboxylic acid
    • SY026697
    • EN300-146162
    • DTXSID60506851
    • 1,4-Dimethyl-1H-imidazole-5-carboxylicacid
    • OPSKQGQJCODPET-UHFFFAOYSA-N
    • AS-50544
    • AKOS006286936
    • MFCD08063163
    • 1,4-Dimethyl-1H-imidazole-5-carboxylic acid, 95% (elemental analysis)
    • A21318
    • P10547
    • 3,5-DIMETHYLIMIDAZOLE-4-CARBOXYLIC ACID
    • 1,4-Dimethylimidazole-5-carboxylic Acid
    • 1,4-dimethyl-1H-imidazole-5-carboxylic acid;1,4-Dimethylimidazole-5-carboxylic Acid
    • CS-0308979
    • SCHEMBL3054669
    • 78449-67-9
    • SB22835
    • DB-356669
    • MDL: MFCD08063163
    • Inchi: 1S/C6H8N2O2/c1-4-5(6(9)10)8(2)3-7-4/h3H,1-2H3,(H,9,10)
    • InChI Key: OPSKQGQJCODPET-UHFFFAOYSA-N
    • SMILES: OC(C1=C(C)N=CN1C)=O

Computed Properties

  • Exact Mass: 140.058577502g/mol
  • Monoisotopic Mass: 140.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 149
  • 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: 0.3
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Melting Point: 210-215?°C
  • Boiling Point: 386.0±22.0 °C at 760 mmHg
  • Flash Point: 187.2±22.3 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

1,4-Dimethyl-1H-imidazole-5-carboxylic acid Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26
  • Hazardous Material Identification: Xi
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

1,4-Dimethyl-1H-imidazole-5-carboxylic acid Pricemore >>

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