2-(Trifluoromethyl)-1H-imidazole-5-carboxylic acid

CAS Registry Number®

78016-98-5

CAS Name

2-(Trifluoromethyl)-1H-imidazole-5-carboxylic acid

Molecular Formula

C5H3F3N2O2

Molecular Mass

180.08

Cite this Page

2-(Trifluoromethyl)-1H-imidazole-5-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78016-98-5 (retrieved 2024-11-24) (CAS RN: 78016-98-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    264-265 °C (decomp)

Source(s)

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

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=DQPSZGHYQKCZEY-UHFFFAOYSA-N

SMILES

C(F)(F)(F)C=1NC(C(O)=O)=CN1

Canonical SMILES

O=C(O)C1=CN=C(N1)C(F)(F)F

Other Names for this Substance

  • 1H-Imidazole-5-carboxylic acid, 2-(trifluoromethyl)-
  • 1H-Imidazole-4-carboxylic acid, 2-(trifluoromethyl)-
  • 2-(Trifluoromethyl)-1H-imidazole-5-carboxylic acid
  • 2-Trifluoromethylimidazole-4-carboxylic acid
  • 2-(Trifluoromethyl)-1H-imidazole-4-carboxylic acid

CAS INSIGHTSTM
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