[5-(3-Amino-1,2,4-Triazol-1-Yl)-3,4-Dibenzoyloxy-Oxolan-2-Yl]Methyl Benzoate
[CAS# 24806-98-2]

Identification

• Name: [5-(3-Amino-1,2,4-Triazol-1-Yl)-3,4-Dibenzoyloxy-Oxolan-2-Yl]Methyl Benzoate
• Synonyms: [5-(3-Amino-1,2,4-Triazol-1-Yl)-4-(Benzoyloxy)-2-(Benzoyloxymethyl)Tetrahydrofuran-3-Yl] Benzoate; Benzoic Acid [5-(3-Amino-1,2,4-Triazol-1-Yl)-4-(Oxo-Phenylmethoxy)-2-[(Oxo-Phenylmethoxy)Methyl]-3-Tetrahydrofuranyl] Ester; Benzoic Acid [5-(3-Amino-1,2,4-Triazol-1-Yl)-4-(Benzoyloxy)-2-(Benzoyloxymethyl)Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₂₈H₂₄N₄O₇
• Molecular Weight: 528.52
• CAS Registry Number: 24806-98-2
• SMILES: C1=NC(=N[N]1C3C(C(C(COC(=O)C2=CC=CC=C2)O3)OC(C4=CC=CC=C4)=O)OC(C5=CC=CC=C5)=O)N
• InChI: 1S/C28H24N4O7/c29-28-30-17-32(31-28)24-23(39-27(35)20-14-8-3-9-15-20)22(38-26(34)19-12-6-2-7-13-19)21(37-24)16-36-25(33)18-10-4-1-5-11-18/h1-15,17,21-24H,16H2,(H2,29,31)
• InChIKey: BQZXOQPQTNDRLT-UHFFFAOYSA-N

Properties

• Density: 1.41g/cm³ (Cal.)
• Boiling point: 728.448°C at 760 mmHg (Cal.)
• Flash point: 394.351°C (Cal.)