3-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid

CAS Registry Number®

543739-84-0

CAS Name

3-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid

Molecular Formula

C5H3F3N2O2

Molecular Mass

180.08

Cite this Page

3-(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=543739-84-0 (retrieved 2024-11-01) (CAS RN: 543739-84-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    249-250 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C5H3F3N2O2/c6-5(7,8)3-2(4(11)12)1-9-10-3/h1H,(H,9,10)(H,11,12)

InChIKey

InChIKey=VHKMTORCXXPIFI-UHFFFAOYSA-N

SMILES

C(F)(F)(F)C=1C(C(O)=O)=CNN1

Canonical SMILES

O=C(O)C1=CNN=C1C(F)(F)F

Other Names for this Substance

  • 1H-Pyrazole-4-carboxylic acid, 3-(trifluoromethyl)-
  • 3-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid
  • 3-(Trifluoromethyl)pyrazole-4-carboxylic acid

Deleted or Replaced CAS Registry Numbers

700372-25-4, 1259932-11-0

CAS INSIGHTSTM
Adam Sanford and Orr Ravitz from CAS