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78016-98-5

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78016-98-5 Structure

78016-98-5 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[HS Code ]

2933299090
Spectrum DetailBack Directory
[Spectrum Detail]

2-Trifluoromethylimidazole-4-carboxylic acid(78016-98-5)1HNMR
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