8-[(E)-2-(3,4-Difluorophenyl)Ethenyl]-1,3-Diethyl-7H-Purine-2,6-Dione
[CAS# 155271-46-8]

Identification

• Name: 8-[(E)-2-(3,4-Difluorophenyl)Ethenyl]-1,3-Diethyl-7H-Purine-2,6-Dione
• Synonyms: 8-[(E)-2-(3,4-Difluorophenyl)Vinyl]-1,3-Diethyl-7H-Purine-2,6-Dione; 8-[(E)-2-(3,4-Difluorophenyl)Vinyl]-1,3-Diethyl-7H-Purine-2,6-Quinone; (E)-1,3-Diethyl-8-(2-(3,4-Difluorophenyl)Ethenyl)-3,7-Dihydro-1H-Purine-2,6-Dione
• Molecular Formula: C₁₇H₁₆F₂N₄O₂
• Molecular Weight: 346.34
• CAS Registry Number: 155271-46-8
• SMILES: C1=C(C(=CC=C1/C=C/C2=NC3=C([NH]2)C(N(C(N3CC)=O)CC)=O)F)F
• InChI: 1S/C17H16F2N4O2/c1-3-22-15-14(16(24)23(4-2)17(22)25)20-13(21-15)8-6-10-5-7-11(18)12(19)9-10/h5-9H,3-4H2,1-2H3,(H,20,21)/b8-6+
• InChIKey: KGKNZGMWEOHGCX-SOFGYWHQSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 554.052°C at 760 mmHg (Cal.)
• Flash point: 288.88°C (Cal.)