Copper 1-[(2-Benzofuran-2-Yl-5,5-Dimethyl-1,3-Dioxan-2-Yl)Methyl]-1,2, 4-Triazole Sulfate Hydrate
[CAS# 98710-86-2]

Identification

• Name: Copper 1-[(2-Benzofuran-2-Yl-5,5-Dimethyl-1,3-Dioxan-2-Yl)Methyl]-1,2, 4-Triazole Sulfate Hydrate
• Synonyms: Copper 1-[[2-(Benzofuran-2-Yl)-5,5-Dimethyl-1,3-Dioxan-2-Yl]Methyl]-1,2,4-Triazole Sulfate Hydrate; Copper 1-[[2-(2-Benzofuranyl)-5,5-Dimethyl-1,3-Dioxan-2-Yl]Methyl]-1,2,4-Triazole Sulfate Hydrate; Cupric 1-[[2-(Benzofuran-2-Yl)-5,5-Dimethyl-1,3-Dioxan-2-Y
• Molecular Formula: C₁₇H₂₁CuN₃O₈S
• Molecular Weight: 490.97
• CAS Registry Number: 98710-86-2
• SMILES: O1C(=CC2=CC=CC=C12)C3(OCC(CO3)(C)C)C[N]4N=CN=C4.O=[S]([O-])([O-])=O.O.[Cu++]
• InChI: 1S/C17H19N3O3.Cu.H2O4S.H2O/c1-16(2)9-21-17(22-10-16,8-20-12-18-11-19-20)15-7-13-5-3-4-6-14(13)23-15;;1-5(2,3)4;/h3-7,11-12H,8-10H2,1-2H3;;(H2,1,2,3,4);1H2/q;+2;;/p-2
• InChIKey: UEVUYPLHPCWCGW-UHFFFAOYSA-L

Properties

• Boiling point: 475.6°C at 760 mmHg (Cal.)
• Flash point: 241.5°C (Cal.)