Benzotrifuroxan
[CAS# 3470-17-5]

Identification

• Name: Benzotrifuroxan
• Synonyms: Benzo(1,2-C:3,4-C':5,6-C'')Tris(1,2,5)Oxadiazole, 1,4,7-Trioxide; Brn 0051220; Btf
• Molecular Formula: C₆N₆O₆
• Molecular Weight: 252.10
• CAS Registry Number: 3470-17-5
• SMILES: [O-][N+]4=C3C1=NO[N+](=C1C2=NO[N+](=C2C3=NO4)[O-])[O-]
• InChI: 1S/C6N6O6/c13-10-4-1(7-16-10)5-3(8-17-11(5)14)6-2(4)9-18-12(6)15
• InChIKey: ROSQKRBIBODSRH-UHFFFAOYSA-N

Properties

• Density: 3.45g/cm³ (Cal.)
• Boiling point: 605.139°C at 760 mmHg (Cal.)
• Flash point: 319.777°C (Cal.)

References

• (1): Giovanni Palmisano, Elisa García-López, Giuseppe Marcì, Vittorio Loddo, Sedat Yurdakal, Vincenzo Augugliaro and Leonardo Palmisano. Advances in selective conversions by heterogeneous photocatalysis, Chem. Commun., 2010, 46, 7074.