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Benzotrifuroxan
[CAS 3470-17-5]

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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 Structure CAS#: 3470-17-5, Benzotrifuroxan
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.
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