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 acidMolecular Formula
C12H6F6N2O2Molecular Mass
324.18Cite 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 ) (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