6028-92-8

Basic information

• Product Name: 1-(4-NITROPHENYL)-3-(2-THIENYL)-PROP-2-EN-1-ONE
• Synonyms: (2E)-1-(4-Nitrophenyl)-3-(2-thienyl)-2-propen-1-one;2'-Thienylidene-4-nitroacetophenone;LABOTEST-BB LT00453605;1-(4-NITROPHENYL)-3-(2-THIENYL)-2-PROPEN-1-ONE;1-(4-NITROPHENYL)-3-(2-THIENYL)-PROP-2-EN-1-ONE;(E)-1-(4-nitrophenyl)-3-(thiophen-2-yl)prop-2-en-1-one;(2E)-1-(4-nitrophenyl)-3-(thiophen-2-yl)prop-2-en-1-one
• CAS NO: 6028-92-8
• Molecular Formula: C₁₃H₉NO₃S
• Molecular Weight: 259.28
• Mol File: 6028-92-8.mol
• Article Data: 5

Chemical Properties

• Melting Point: 168-170°C
• Boiling Point: 452.7 °C at 760 mmHg
• Flash Point: 227.6 °C
• Appearance: /
• Density: 1.356 g/cm³
• Vapor Pressure: 2.19E-08mmHg at 25°C
• Refractive Index: 1.677
• CAS DataBase Reference: 1-(4-NITROPHENYL)-3-(2-THIENYL)-PROP-2-EN-1-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-NITROPHENYL)-3-(2-THIENYL)-PROP-2-EN-1-ONE(6028-92-8)
• EPA Substance Registry System: 1-(4-NITROPHENYL)-3-(2-THIENYL)-PROP-2-EN-1-ONE(6028-92-8)

Safety Data

• Hazardous Substances Data: 6028-92-8(Hazardous Substances Data)

Usage

General Description

1-(4-Nitrophenyl)-3-(2-thienyl)-prop-2-en-1-one, also known as Nitro Stilbene, is an organic compound consisting of a phenyl group coupled with a thiophene ring at one end and a nitro group at the other. This substance belongs to a category of molecules known as Stilbenes, which are commonly used in dye industry and the manufacture of plastics due to their property of producing color when treated with acidic or basic substances. This particular compound, owing to its nitro function and the thiophene ring, may also show potential applications in pharmaceuticals and agrochemicals. However, the handling of such chemicals must be done with care due to their probable toxicity. Comprehensive studies on its diverse applications and possible side effects are still under research.

InChI:InChI=1/C13H9NO3S/c15-13(8-7-12-2-1-9-18-12)10-3-5-11(6-4-10)14(16)17/h1-9H/b8-7+

Upstream product

• 98-03-3 thiophene-2-carbaldehyde 
• 100-19-6 (4-nitrophenyl)ethanone 

Relevant articles and documents

Studies of NMR Chemical Shifts of Chalcone Derivatives of Five-membered Monoheterocycles and Determination of Aromaticity Indices

A series of the chalcone derivatives of the five-membered monoheterocyclic compounds, (E)-1-aryl-3-heteroarylpropen-1-ones, were prepared by aldol condensation of the corresponding aldehydes of thiophene, pyrrole, and furan with m- and p-substituted acetophenones. Similar condensation of the acetyl compounds of the heterocycles with m- and p-substituted benzaldehydes gave another series of the chalcone derivatives, (E)-1-heteroaryl-3-arylpropen-1-ones. The 13C chemical shift values (δC) of the chalcone derivatives were determined in order to find if they correlated with the Hammett σ values. A good correlation, especially for the β-C for both series, was found for the 13C chemical shift values (δC) of the chalcone derivatives with the Hammett σ values. The chemical shift values of the β-C of the heterocyclic compounds were plotted against those of the benzene derivatives. The resulting slopes were found to be close to the values of the aromaticity indices.

Studies on the nuclear magnetic resonance spectra of (E)-1-Aryl-3-(2- and 3-thienyl)-2-propenones and unique observation of 4J and 5J coupling in their 1H-1H COSY

1H and 13C NMR spectra of series of (E)-1-aryl-(2- and 3-thienyl)-2-propenones, that are aldol condensation products between 2- and 3-thiophenecarbaldehydes and m- and p-substituted acetophenones, were examined to make complete assig

Studies of Substituent Effects by Carbon-13 NMR Spectroscopy. Thiophene and Furan Chalcone Analogues

13C NMR spectra of 39 thiophene and furan chalcone analogues in CDCl3 solutions are reported.The effect of substituents on the 13C chemical shifts in the phenyl and in the 5-membered rings is discussed. 13C NMR shifts are correlated with Hammett parameter