(4Z)-4-[(E)-3-[3-Carboxy-5-Oxo-1-(2,2,2-Trifluoroethyl)-2H-Pyrazol-4-Yl]Prop-2-Enylidene]-5-Oxo-1-(2,2,2-Trifluoroethyl)Pyrazole-3-Carboxylic Acid
[CAS# 76552-35-7]

Identification

• Name: (4Z)-4-[(E)-3-[3-Carboxy-5-Oxo-1-(2,2,2-Trifluoroethyl)-2H-Pyrazol-4-Yl]Prop-2-Enylidene]-5-Oxo-1-(2,2,2-Trifluoroethyl)Pyrazole-3-Carboxylic Acid
• Synonyms: (4Z)-4-[(E)-3-[3-Carboxy-5-Oxo-1-(2,2,2-Trifluoroethyl)-2H-Pyrazol-4-Yl]Prop-2-Enylidene]-5-Oxo-1-(2,2,2-Trifluoroethyl)-3-Pyrazolecarboxylic Acid; (4Z)-4-[(E)-3-[3-Carboxy-5-Keto-1-(2,2,2-Trifluoroethyl)-2H-Pyrazol-4-Yl]Prop-2-Enylidene]-5-Keto-1-(2,2,2-Trifluoroethyl)Pyrazole-3-Carboxylic Acid; 4-(3-(3-Carboxy-5-Hydroxy-1-(2,2,2-Trifluoroethyl)-1H-Pyrazol-4-Yl)Allylidene)-4,5-Dihydro-5-Oxo-1-(2,2,2-Trifluoroethyl)-1H-Pyrazole-3-Carboxylic Acid
• Molecular Formula: C₁₅H₁₀F₆N₄O₆
• Molecular Weight: 456.26
• CAS Registry Number: 76552-35-7
• EINECS: 278-491-8
• SMILES: C(N1NC(=C(C1=O)\C=C\C=C2/C(=O)N(N=C2C(O)=O)CC(F)(F)F)C(O)=O)C(F)(F)F
• InChI: 1S/C15H10F6N4O6/c16-14(17,18)4-24-10(26)6(8(22-24)12(28)29)2-1-3-7-9(13(30)31)23-25(11(7)27)5-15(19,20)21/h1-3,22H,4-5H2,(H,28,29)(H,30,31)/b2-1+,7-3-
• InChIKey: FYNVRPHWKVCWNA-YDCWOTKKSA-N

Properties

• Density: 1.757g/cm³ (Cal.)
• Boiling point: 410.939°C at 760 mmHg (Cal.)
• Flash point: 202.329°C (Cal.)