| Identification | Back Directory | [Name]
2-Trifluoromethylimidazole-4-carboxylic acid | [CAS]
78016-98-5 | [Synonyms]
2-Trifluoromethylimidazole-4-carboxylic acid
2-(TrifluoroMethyl)-1H-iMidazole-5-carboxylic acid
2-(trifluoromethyl)-1H-imidazole-4-carboxylic acid
1H-IMidazole-5-carboxylic acid, 2-(trifluoroMethyl)- | [Molecular Formula]
C5H3F3N2O2 | [MDL Number]
MFCD10696306 | [MOL File]
78016-98-5.mol | [Molecular Weight]
180.08 |
| Chemical Properties | Back Directory | [Melting point ]
264-265 °C (decomp) | [Boiling point ]
350.7±42.0 °C(Predicted) | [density ]
1.682 | [storage temp. ]
2-8°C | [pka]
3.55±0.10(Predicted) | [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]
DQPSZGHYQKCZEY-UHFFFAOYSA-N | [SMILES]
C1(C(F)(F)F)NC(C(O)=O)=CN=1 |
| Hazard Information | Back Directory | [Uses]
2-(Trifluoromethyl)-1H-imidazole-5-carboxylic acid, also known as 2-trifluoromethylimidazole-4-carboxylic acid, is a fluorinated organic heterocyclic compound that can be used as a synthetic intermediate or a pharmaceutical intermediate. | [Synthesis]
2-Trifluoromethylimidazole-4-carboxylic acid was prepared by decarboxylation of 2-trifluoromethylimidazole-4,5-dicarboxylic acid through heating. The specific reaction procedure is as follows: 2-Trifluoromethylimidazole-4,5-dicarboxylic acid (0.75 g) was heated at 250 °C for 15 minutes; carbon dioxide was evolved. The brown residue (0.54 g) was boiled with charcoal suspended in methanol and filtered. The filtrate was evaporated to leave a residue, a portion (0.17 g) of which was sublimed at 130 °C (30 mmHg); a fraction was collected and, after washing with hot trichloromethane, yielded 2-trifluoromethylimidazole-4-carboxylic acid (0.10 g), m.p. 264–5 °C (decomposes)[1].
 | [References]
[1] Owen, M. D., Plevey, R. G., & Tatlow, J. C. (1981). 2-Trifluoromethylimidazole, 2,4,5-tris (trifluoromethyl)imidazole and related compounds. Journal of Fluorine Chemistry, 17 2, Pages 179-186. https://doi.org/10.1016/S0022-1139(00)85263-X |
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Cochemical Ltd.
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http://www.cochemical.com |
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