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

Modify Date: 2024-01-09 11:05:12

Benzene,1-nitro-4-(2-nitroethenyl)- Structure
Benzene,1-nitro-4-(2-nitroethenyl)- structure
Common Name Benzene,1-nitro-4-(2-nitroethenyl)-
CAS Number 3156-41-0 Molecular Weight 194.14
Density 1.401g/cm3 Boiling Point 320ºC at 760mmHg
Molecular Formula C8H6N2O4 Melting Point 203-205ºC
MSDS N/A Flash Point 156.9ºC

 Use of Benzene,1-nitro-4-(2-nitroethenyl)-


SARS-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].

 Names

Name β,4-DINITROSTYRENE
Synonym More Synonyms

 Benzene,1-nitro-4-(2-nitroethenyl)- Biological Activity

Description SARS-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 Catalog
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

Density 1.401g/cm3
Boiling Point 320ºC at 760mmHg
Melting Point 203-205ºC
Molecular Formula C8H6N2O4
Molecular Weight 194.14
Flash Point 156.9ºC
Exact Mass 194.03300
PSA 91.64000
LogP 2.88860
Index of Refraction 1.642

 Safety Information

Risk Phrases R36/37/38
Safety Phrases S26-S36
HS Code 2904209090

 Synthetic Route

 Customs

HS Code 2904209090
Summary 2904209090 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