78016-98-5

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78016-98-5 Structure

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

Safety Data	Back Directory
[HS Code ] 2933299090

Spectrum Detail	Back Directory
[Spectrum Detail] 2-Trifluoromethylimidazole-4-carboxylic acid(78016-98-5)¹HNMR

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