Cas no 98534-82-8 (1-(3-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid)

1-(3-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid structure
98534-82-8 structure
Product Name:1-(3-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CAS No:98534-82-8
MF:C11H6ClF3N2O2
MW:290.625751972198
MDL:MFCD03934809
CID:801899
PubChem ID:4255846
Update Time:2025-04-19

1-(3-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(3-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
    • 1-(3-Chlorophenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid
    • 1H-Pyrazole-4-carboxylicacid, 1-(3-chlorophenyl)-5-(trifluoromethyl)-
    • MFCD03934809
    • 98534-82-8
    • BS-41679
    • 3-(2-OXOCYCLODODECYL)PROPANOICACID
    • SCHEMBL2850399
    • 1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic Acid
    • CS-0242156
    • DTXSID20401292
    • FT-0725896
    • EN300-24540
    • AKOS000202907
    • Z199040170
    • 1-(3-chloro-phenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid
    • W18892
    • 1-(3-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylicacid
    • DB-017200
    • MDL: MFCD03934809
    • Inchi: 1S/C11H6ClF3N2O2/c12-6-2-1-3-7(4-6)17-9(11(13,14)15)8(5-16-17)10(18)19/h1-5H,(H,18,19)
    • InChI Key: FIZDWSPZPPDMBZ-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1)N1C(C(F)(F)F)=C(C(=O)O)C=N1

Computed Properties

  • Exact Mass: 290.007
  • Monoisotopic Mass: 290.007
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 353
  • 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: 55.1A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3

Experimental Properties

  • Density: 1.56
  • Boiling Point: 405°C at 760 mmHg
  • Flash Point: 198.7°C
  • Refractive Index: 1.575

1-(3-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid Pricemore >>

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