3,5-Bis(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

CAS Registry Number®

1335234-35-9
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CAS Name

3,5-Bis(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

Molecular Formula

C6H2F6N2O2

Molecular Mass

248.08

Cite this Page

3,5-Bis(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=1335234-35-9 (retrieved 2024-08-28) (CAS RN: 1335234-35-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >250 °C (sublm)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H2F6N2O2/c7-5(8,9)2-1(4(15)16)3(14-13-2)6(10,11)12/h(H,13,14)(H,15,16)

InChIKey

InChIKey=FWWATELKMKWQKZ-UHFFFAOYSA-N

SMILES

C(O)(=O)C=1C(C(F)(F)F)=NNC1C(F)(F)F

Canonical SMILES

O=C(O)C=1C(=NNC1C(F)(F)F)C(F)(F)F

Other Names for this Substance

  • 1H-Pyrazole-4-carboxylic acid, 3,5-bis(trifluoromethyl)-
  • 3,5-Bis(trifluoromethyl)-1H-pyrazole-4-carboxylic acid