4-Oxo-6-(Pentafluoroethyl)-2-(Trifluoromethyl)-1,4-Dihydro-5-Pyrimidinecarboxylic Acid
[CAS# 170865-76-6]

Identification

• Name: 4-Oxo-6-(Pentafluoroethyl)-2-(Trifluoromethyl)-1,4-Dihydro-5-Pyrimidinecarboxylic Acid
• Synonyms: 4-hydroxy-6-(pentafluoroethyl)-2-(trifluoromethyl)-5-pyrimidinecarboxylic acid; 4-oxo-6-(perfluoroethyl)-2-(trifluoromethyl)-1,4-dihydropyrimidine-5-carboxylic acid
• Molecular Formula: C₈H₂F₈N₂O₃
• Molecular Weight: 326.10
• CAS Registry Number: 170865-76-6
• SMILES: O=C(O)\C1=C(\N\C(=N/C1=O)C(F)(F)F)C(F)(F)C(F)(F)F
• InChI: 1S/C8H2F8N2O3/c9-6(10,8(14,15)16)2-1(4(20)21)3(19)18-5(17-2)7(11,12)13/h(H,20,21)(H,17,18,19)
• InChIKey: NHAGJOQHYLFTGT-UHFFFAOYSA-N

Properties

• Density: 1.879g/cm³ (Cal.)
• Boiling point: 216.278°C at 760 mmHg (Cal.)
• Flash point: 84.602°C (Cal.)
• Refractive index: 1.444 (Cal.)