(E)-1-(5-Methyl-1,3-Dioxan-5-Yl)-2-(1,2,4-Triazol-1-Yl)-3-[4-(Trifluoromethyl)Phenyl]Prop-2-En-1-Ol
[CAS# 81304-51-0]

Identification

• Name: (E)-1-(5-Methyl-1,3-Dioxan-5-Yl)-2-(1,2,4-Triazol-1-Yl)-3-[4-(Trifluoromethyl)Phenyl]Prop-2-En-1-Ol
• Synonyms: 1H-1,2,4-Triazole-1-Ethanol, Alpha-(5-Methyl-1,3-Dioxan-5-Yl)-Beta-((4-(Trifluoromethyl)Phenyl)Methylene)-
• Molecular Formula: C₁₇H₁₈F₃N₃O₃
• Molecular Weight: 369.34
• CAS Registry Number: 81304-51-0
• SMILES: C1=NC=N[N]1C(/C(O)C2(COCOC2)C)=C/C3=CC=C(C(F)(F)F)C=C3
• InChI: 1S/C17H18F3N3O3/c1-16(7-25-11-26-8-16)15(24)14(23-10-21-9-22-23)6-12-2-4-13(5-3-12)17(18,19)20/h2-6,9-10,15,24H,7-8,11H2,1H3/b14-6+
• InChIKey: SBLFAGXVSMRMRX-MKMNVTDBSA-N

Properties

• Density: 1.369g/cm³ (Cal.)
• Boiling point: 510.398°C at 760 mmHg (Cal.)
• Flash point: 262.479°C (Cal.)