7-[2-[Difluoro-(2,3,4-Trifluorophenyl)Methoxy]Ethyl]-1,3-Bis[Difluoro-(2,3,4-Trifluorophenyl)Methyl]Purine-2,6-Dione
[CAS# 126565-13-7]

Identification

• Name: 7-[2-[Difluoro-(2,3,4-Trifluorophenyl)Methoxy]Ethyl]-1,3-Bis[Difluoro-(2,3,4-Trifluorophenyl)Methyl]Purine-2,6-Dione
• Synonyms: 7-[2-[Difluoro-(2,3,4-Trifluorophenyl)Methoxy]Ethyl]-1,3-Bis[Difluoro-(2,3,4-Trifluorophenyl)Methyl]Xanthine; (Pfbz)3-N7-Hex; 1H-Purine-2,6-Dione, 3,7-Dihydro-7-(2-((Pentafluorophenyl)Methoxy)Ethyl-1,3-Bis(Pentafluorophenyl)Methyl)-
• Molecular Formula: C₂₈H₁₁F₁₅N₄O₃
• Molecular Weight: 736.40
• CAS Registry Number: 126565-13-7
• SMILES: C1=NC3=C([N]1CCOC(C2=CC=C(C(=C2F)F)F)(F)F)C(N(C(N3C(C4=CC=C(C(=C4F)F)F)(F)F)=O)C(C5=CC=C(C(=C5F)F)F)(F)F)=O
• InChI: 1S/C28H11F15N4O3/c29-13-4-1-10(16(32)19(13)35)26(38,39)46-23-22(24(48)47(25(46)49)27(40,41)11-2-5-14(30)20(36)17(11)33)45(9-44-23)7-8-50-28(42,43)12-3-6-15(31)21(37)18(12)34/h1-6,9H,7-8H2
• InChIKey: BRANLRGEABFFJE-UHFFFAOYSA-N

Properties

• Density: 1.685g/cm³ (Cal.)
• Boiling point: 674.274°C at 760 mmHg (Cal.)
• Flash point: 361.588°C (Cal.)