2-(4-methylphenyl)sulfanyl-5-nitro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraene

Modify Date: 2025-09-11 11:17:31

2-(4-methylphenyl)sulfanyl-5-nitro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraene Structure
2-(4-methylphenyl)sulfanyl-5-nitro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraene structure
 Common Name 2-(4-methylphenyl)sulfanyl-5-nitro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraene
CAS Number 53619-61-7 Molecular Weight 287.29400
Density 1.48g/cm3 Boiling Point 488.1ºC at 760 mmHg
Molecular Formula C13H9N3O3S Melting Point N/A
MSDS N/A Flash Point 249ºC

 Names

Name 4-(4-methylphenyl)sulfanyl-7-nitro-2,1,3-benzoxadiazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.48g/cm3
Boiling Point 488.1ºC at 760 mmHg
Molecular Formula C13H9N3O3S
Molecular Weight 287.29400
Flash Point 249ºC
Exact Mass 287.03600
PSA 110.04000
LogP 4.11380
Index of Refraction 1.71
InChIKey SQAVTBVSLRAJAT-UHFFFAOYSA-N
SMILES Cc1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1

 Synthetic Route

4-Bromo-7-nitrobenzo[c][1,2,5]oxadiazole structure

4-Bromo-7-nitro...

CAS#:35128-56-4

P-toluenethiol structure

P-toluenethiol

CAS#:106-45-6

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2-(4-methylphenyl)sulfanyl-5-nitro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraene Structure

2-(4-methylphen...

CAS#:53619-61-7

Literature: Rosso, Mauro Domenico del; Nunno, Leonardo Di; Florio, Saverio; Amorese, Antonio Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1980 , p. 239 - 242
P-toluenethiol structure

P-toluenethiol

CAS#:106-45-6

4-Chloro-7-nitrobenzofurazan structure

4-Chloro-7-nitr...

CAS#:10199-89-0

~%

2-(4-methylphenyl)sulfanyl-5-nitro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraene Structure

2-(4-methylphen...

CAS#:53619-61-7

Literature: Rosso, Mauro Domenico del; Nunno, Leonardo Di; Florio, Saverio; Amorese, Antonio Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1980 , p. 239 - 242

 Synonyms

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Chemsrc provides CAS#:53619-61-7 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-(4-methylphenyl)sulfanyl-5-nitro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraene>> amp version: 2-(4-methylphenyl)sulfanyl-5-nitro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraene

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