4231-16-7

Basic information

• Product Name: 1-nitro-4-[(1E)-2-nitroprop-1-en-1-yl]benzene
• Synonyms: 1-Nitro-4-(2-nitro-1-propenyl)benzene; 1-Nitro-4-[(1E)-2-nitro-1-propen-1-yl]benzene; benzene, 1-nitro-4-[(1E)-2-nitro-1-propen-1-yl]-
• CAS NO: 4231-16-7
• Molecular Formula: C₉H₈N₂O₄
• Molecular Weight: 208.1708
• Mol File: 4231-16-7.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 323.9°C at 760 mmHg
• Flash Point: 152.9°C
• Density: 1.344g/cm³
• Vapor Pressure: 0.00048mmHg at 25°C
• Refractive Index: 1.622
• CAS DataBase Reference: 1-nitro-4-[(1E)-2-nitroprop-1-en-1-yl]benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-nitro-4-[(1E)-2-nitroprop-1-en-1-yl]benzene(4231-16-7)
• EPA Substance Registry System: 1-nitro-4-[(1E)-2-nitroprop-1-en-1-yl]benzene(4231-16-7)

Safety Data

• Hazardous Substances Data: 4231-16-7(Hazardous Substances Data)

Usage

Benzene ring

One
A six-membered, unsaturated carbon ring with delocalized electrons, which provides the compound with stability and aromaticity.

Nitro groups

Two
Functional groups consisting of an oxygen and nitrogen atom (-NO2) attached to the benzene ring, contributing to the compound's reactivity and properties.

1-nitroprop-1-en-1-yl group

One
A functional group with a nitro (-NO2) attached to a propene (a three-carbon chain with a double bond) and an additional single bond to the benzene ring.

Uses

Intermediate in the synthesis of pharmaceuticals, dyes, and other organic compounds
The compound serves as a building block or precursor in the production of various pharmaceuticals, dyes, and other organic compounds.

Applications

Production of plasticizers and polymer resins
1,4-dinitrostyrene is used in the manufacturing of plasticizers (chemicals that increase the flexibility of plastics) and polymer resins (a base material for plastics and coatings).

Toxicity

Toxic
The compound is harmful and can cause adverse health effects if ingested, inhaled, or absorbed through the skin.

Hazards

Skin, eye, and respiratory system irritation
Exposure to 1,4-dinitrostyrene can cause irritation to the skin, eyes, and respiratory system, necessitating proper handling and safety precautions.

Upstream product

• 79-24-3 Nitroethane 
• 555-16-8 4-nitrobenzaldehdye 
• 142840-00-4 Acetic acid 2-nitro-1-(4-nitro-phenyl)-propyl ester 
• 135711-51-2 Butyl-[2-nitro-1-(4-nitro-phenyl)-propyl]-amine 
• 142839-98-3 2-nitro-1-(4-nitrophenyl)propan-1-ol 

Downstream Products

• 107389-29-7 2-Acetyl-4-aci-nitro-3-(4-nitrophenyl)pentansaeure-t-butylester 
• 53359-85-6 tetraethyl 2-(4-nitrophenyl)ethene-1,1-diyldiphosphonate 
• 51146-36-2 aci-nitroethane trimethylsilyl ester 
• 99290-08-1 [(4S,5S)-3-Methyl-4-(4-nitro-phenyl)-2-oxy-4,5-dihydro-isoxazol-5-yl]-phenyl-methanone 
• 93530-63-3 N-hydroxy-p-nitroamphetamine 
• 1723-25-7 ethyl 2,3-dioxobutyrate 
• 95838-64-5 2,5-Dimethyl-4-(4-nitrophenyl)-3-pyrrolcarbonsaeure-ethylester 
• 95863-85-7 2-Acetyl-4-aci-nitro-3-(4-nitrophenyl)pentansaeure-ethylester 
• 25798-60-1 (1-nitro-4-(prop-1-en-1-yl)benzene) 
• 1519057-94-3 1-(2,4-dimethylphenyl)-2-methyl-3-(4-nitrophenyl)-1,5,6,7-tetrahydro-4H-indol-4-one 
• 1519057-20-5 2,6,6-trimethyl-3-(4-nitrophenyl)-1-phenyl-1,5,6,7-tetrahydro-4H-indol-4-one 
• 1600521-09-2 1-(2,5-dimethyl-4-(4-nitrophenyl)-1-phenyl-1H-pyrrol-3-yl)ethanone 
• 6158-99-2 2-methyl-3-(4-nitrophenyl)quinoxaline 
• 1394369-89-1 (2R,3S,4R)-4-nitro-3-(4-nitrophenyl)-2-propylpentanal 

Relevant articles and documents

Synthesis and characterization of silica-polymer nanocomposites functionalized with piperazine for the synthesis of β-nitro alcohols

In order to compare the activity and selectivity for the synthesis of β-nitro alcohols, piperazine was functionalized directly and after surface modification into the ordered mesoporous SBA-15 framework. The materials were characterized by powder X-ray di

Switchable perfomance of an L-proline-derived basic catalyst controlled by supramolecular gelation

An L-proline-derived low molecular weight gelator forms gels in nitromethane and nitroethane and acts as a basic catalyst for the Henry nitroaldol reaction of these solvents with 4-nitrobenzaldehyde and 4-chlorobenzaldehyde. The reported catalyst is effic

2-Benzyl-2-methyl-2H-benzimidazole 1,3-dioxide derivatives: Spectroscopic and theoretical study

The spectroscopic behavior of 2-benzyl-2-methyl-2H-benzimidazole 1,3-dioxide derivatives in solution was studied in terms of electronic and nuclear magnetic resonance (1H and 13C NMR) techniques. The experimental spectra were compared to the theoretical ones, obtained at DFT level, proving that the compounds adopt in solution a bird-like conformational distribution. Also, theoretically this conformational distribution resulted the most stable in gas phase. Infrared spectroscopy was used to study solid state behavior identifying experimentally the N-O stretching near to 1380, 1365 and 1225 cm-1 and the vibrational benzimidazole skeleton near to 1610 and 1590 cm-1. The vibrational spectrum was satisfactorily described by DFT calculations funding the N-O stretching as a coupled vibration near to 1470, 1350 and 1285 cm-1. The fragmentation that takes place in mass spectrometry was assigned for all of the new derivatives.