Cas no 112779-13-2 (Ethyl 1-(tert-butyl)-5-chloro-1H-pyrazole-4-carboxylate)

Ethyl 1-(tert-butyl)-5-chloro-1H-pyrazole-4-carboxylate structure
112779-13-2 structure
Product Name:Ethyl 1-(tert-butyl)-5-chloro-1H-pyrazole-4-carboxylate
CAS No:112779-13-2
MF:C10H15ClN2O2
MW:230.691301584244
MDL:MFCD17206148
CID:94871
PubChem ID:13809947
Update Time:2025-04-18

Ethyl 1-(tert-butyl)-5-chloro-1H-pyrazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 1-(tert-butyl)-5-chloro-1H-pyrazole-4-carboxylate
    • 1-tert-Butyl-5-chloro-1H-pyrazole-4-carboxylic acid ethyl ester
    • ETHYL 1-TERT-BUTYL-5-CHLORO-1H-PYRAZOLE-4-CARBOXYLATE
    • ethyl 1-tert-butyl-5-chloropyrazole-4-carboxylate
    • Ethyl 1-(tert-butyl)
    • -5-chloro-1H-pyrazole-4-carboxylate
    • CS-0037395
    • SCHEMBL1406972
    • AS-69361
    • AKOS015899943
    • FT-0764372
    • Ethyl1-(tert-butyl)-5-chloro-1H-pyrazole-4-carboxylate
    • Ethyl 1-(t-butyl)-5-chloro-1H-pyrazole-4-carboxylate
    • DTXSID50550166
    • UGWXIBZPXNDLSS-UHFFFAOYSA-N
    • MFCD17206148
    • W11479
    • 112779-13-2
    • A2273
    • DB-060240
    • MDL： MFCD17206148
    • Inchi： 1S/C10H15ClN2O2/c1-5-15-9(14)7-6-12-13(8(7)11)10(2,3)4/h6H,5H2,1-4H3
    • InChI Key： UGWXIBZPXNDLSS-UHFFFAOYSA-N
    • SMILES： ClC1=C(C(=O)OCC)C=NN1C(C)(C)C

Computed Properties

  • Exact Mass: 230.0822054g/mol
  • Monoisotopic Mass: 230.0822054g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 240
  • 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: 2.3
  • Topological Polar Surface Area: 44.1?2

Experimental Properties

  • Density: 1.17
  • Boiling Point: 300 oC
  • Flash Point: 136 o

Ethyl 1-(tert-butyl)-5-chloro-1H-pyrazole-4-carboxylate Pricemore >>

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