CAS 3156-41-0|Benzene,1-nitro-4-(2-nitroethenyl)-

Introduction：Basic information about CAS 3156-41-0|Benzene,1-nitro-4-(2-nitroethenyl)-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameBenzene,1-nitro-4-(2-nitroethenyl)-
CAS Number3156-41-0Molecular Weight194.14
Density1.401g/cm3Boiling Point320ºC at 760mmHg
Molecular FormulaC8H6N2O4Melting Point203-205ºC
MSDS/Flash Point156.9ºC

Names

Nameβ,4-DINITROSTYRENE
SynonymMore Synonyms

Benzene,1-nitro-4-(2-nitroethenyl)- BiologicalActivity

DescriptionSARS-CoV-2 3CLpro-IN-15 (compound a) is a beta-nitrostyrene coronavirus SARS-CoV-2 inhibitor that targets the SARS-CoV-2 3CL protease (3CLpro). SARS-CoV-2 3CLpro-IN-15 inhibits viral replication and transcription and plays a key role in the discovery of anti-COVID-19 lead compounds[1].
Related CatalogResearch Areas >>InfectionSignaling Pathways >>Anti-infection >>SARS-CoV
Target

IC50: 0.7297 μM (SARS-CoV-2 3CL protease)[1]

References

[1]. Jia ZJ, et al. Synthesis, molecular docking, and binding Gibbs free energy calculation of β-nitrostyrene derivatives: Potential inhibitors of SARS-CoV-2 3CL protease. J Mol Struct. 2023 Jul 15;1284:135409..  

Chemical & Physical Properties

Density1.401g/cm3
Boiling Point320ºC at 760mmHg
Melting Point203-205ºC
Molecular FormulaC8H6N2O4
Molecular Weight194.14
Flash Point156.9ºC
Exact Mass194.03300
PSA91.64000
LogP2.88860
Index of Refraction1.642

Safety Information

Risk PhrasesR36/37/38
Safety PhrasesS26-S36
HS Code2904209090

Customs

HS Code2904209090
Summary2904209090 derivatives containing only nitro or only nitroso groups。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Synonyms

1-(4-nitrophenyl)-2-nitroethene
1-nitro-4-(2-nitrovinyl)benzene
^b,4-Dinitrostyrene
4-Nitro-b-nitrostyrene
1-nitro-2-(4-nitrophenyl)ethene
MFCD00052058
4-NITROPHENYLNITROETHENE
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