2,1,3-Benzoxadiazole,4-(hexahydro-1H-azepin-1-yl)-7-nitro-, 3-oxide

Modify Date: 2025-08-25 17:23:54

2,1,3-Benzoxadiazole,4-(hexahydro-1H-azepin-1-yl)-7-nitro-, 3-oxide Structure
2,1,3-Benzoxadiazole,4-(hexahydro-1H-azepin-1-yl)-7-nitro-, 3-oxide structure
Common Name 2,1,3-Benzoxadiazole,4-(hexahydro-1H-azepin-1-yl)-7-nitro-, 3-oxide
CAS Number 61785-69-1 Molecular Weight 278.26400
Density 1.58g/cm3 Boiling Point 494.1ºC at 760mmHg
Molecular Formula C12H14N4O4 Melting Point N/A
MSDS N/A Flash Point 252.6ºC

 Names

Name 4-(azepan-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium

 Chemical & Physical Properties

Density 1.58g/cm3
Boiling Point 494.1ºC at 760mmHg
Molecular Formula C12H14N4O4
Molecular Weight 278.26400
Flash Point 252.6ºC
Exact Mass 278.10200
PSA 100.55000
LogP 3.13310
Index of Refraction 1.715
InChIKey VRZYVARISPPPLN-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1ccc(N2CCCCCC2)c2c1no[n+]2[O-]
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