2-(benzenesulfinyl)-5-nitro-9-oxido-8-oxa-7-aza-9-azoniabicyclo[4.3.0]nona-2,4,6,9-tetraene

Modify Date: 2025-09-21 11:18:19

2-(benzenesulfinyl)-5-nitro-9-oxido-8-oxa-7-aza-9-azoniabicyclo[4.3.0]nona-2,4,6,9-tetraene Structure
2-(benzenesulfinyl)-5-nitro-9-oxido-8-oxa-7-aza-9-azoniabicyclo[4.3.0]nona-2,4,6,9-tetraene structure
Common Name 2-(benzenesulfinyl)-5-nitro-9-oxido-8-oxa-7-aza-9-azoniabicyclo[4.3.0]nona-2,4,6,9-tetraene
CAS Number 53619-50-4 Molecular Weight 305.26600
Density 1.75g/cm3 Boiling Point 565.7ºC at 760 mmHg
Molecular Formula C12H7N3O5S Melting Point N/A
MSDS N/A Flash Point 295.9ºC

 Names

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

 Chemical & Physical Properties

Density 1.75g/cm3
Boiling Point 565.7ºC at 760 mmHg
Molecular Formula C12H7N3O5S
Molecular Weight 305.26600
Flash Point 295.9ºC
Exact Mass 305.01100
PSA 133.59000
LogP 3.72010
Index of Refraction 1.792
InChIKey CHBKEZUIWYPWIK-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1ccc(S(=O)c2ccccc2)c2c1no[n+]2[O-]
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