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

CAS Registry Number®

98534-80-6
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CAS Name

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

Molecular Formula

C11H6ClF3N2O2

Molecular Mass

290.63

Cite this Page

1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=98534-80-6 (retrieved 2024-08-25) (CAS RN: 98534-80-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    136-138 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C11H6ClF3N2O2/c12-6-1-3-7(4-2-6)17-9(11(13,14)15)8(5-16-17)10(18)19/h1-5H,(H,18,19)

InChIKey

InChIKey=HSZJMDBOSZVDOK-UHFFFAOYSA-N

SMILES

C(F)(F)(F)C=1N(N=CC1C(O)=O)C2=CC=C(Cl)C=C2

Canonical SMILES

O=C(O)C=1C=NN(C2=CC=C(Cl)C=C2)C1C(F)(F)F

Other Names for this Substance

  • 1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-5-(trifluoromethyl)-
  • 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
  • 1-(4-Chlorophenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid
  • 2-(4-Chlorophenyl)-3-(trifluoromethyl)-2H-pyrazole-4-carboxylic acid
  • 2-(4-Chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid

Deleted or Replaced CAS Registry Numbers

2413482-28-5