Cas no 139308-53-5 (Ethyl 1-tert-butyl-1H-pyrazole-4-carboxylate)

Ethyl 1-tert-butyl-1H-pyrazole-4-carboxylate structure
139308-53-5 structure
Product Name:Ethyl 1-tert-butyl-1H-pyrazole-4-carboxylate
CAS No:139308-53-5
MF:C10H16N2O2
MW:196.246242523193
MDL:MFCD17206126
CID:95207
Update Time:2025-04-18

Ethyl 1-tert-butyl-1H-pyrazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 1-(tert-butyl)-1H-pyrazole-4-carboxylate
    • ethyl 1-tert-butyl-1H-pyrazole-4-carboxylate
    • ethyl 1-tert-butylpyrazole-4-carboxylate
    • ACN-P000675
    • AK139707
    • I14-13501
    • BCP17652
    • AX8221795
    • Ethyl 1-tert-butyl-1H-pyrazole-4-carboxylate
    • MDL: MFCD17206126
    • Inchi: 1S/C10H16N2O2/c1-5-14-9(13)8-6-11-12(7-8)10(2,3)4/h6-7H,5H2,1-4H3
    • InChI Key: RDYBTTCDGUWPKW-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=NN(C=1)C(C)(C)C)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 211
  • Topological Polar Surface Area: 44.1

Experimental Properties

  • Density: 1.05±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 273.6±13.0 oC (760 Torr),
  • Flash Point: 119.2±19.8 oC,
  • Solubility: Slightly soluble (1.2 g/l) (25 o C),

Ethyl 1-tert-butyl-1H-pyrazole-4-carboxylate Pricemore >>

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abcr
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