5-(Trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid

CAS Registry Number®

98534-85-1
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CAS Name

5-(Trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid

Molecular Formula

C12H6F6N2O2

Molecular Mass

324.18

Cite this Page

5-(Trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-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=98534-85-1 (retrieved 2024-08-19) (CAS RN: 98534-85-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    157-159 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C12H6F6N2O2/c13-11(14,15)6-2-1-3-7(4-6)20-9(12(16,17)18)8(5-19-20)10(21)22/h1-5H,(H,21,22)

InChIKey

InChIKey=DEZNAYPQPAPVCM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1H-Pyrazole-4-carboxylic acid, 5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-
  • 5-(Trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid