85686-97-1

Basic information

• Product Name: 1,2-difluoro-4,5-dinitrobenzene
• Synonyms: 1,2-difluoro-4,5-dinitrobenzene;Benzene, 1,2-difluoro-4,5-dinitro-;1,2-Dinitro-4,5-difluorobenzene
• CAS NO: 85686-97-1
• Molecular Formula: C₆H₂F₂N₂O₄
• Molecular Weight: 204.0878864
• Mol File: 85686-97-1.mol

Chemical Properties

• Boiling Point: 337.0±37.0 °C(Predicted)
• Appearance: /
• Density: 1.679±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 1,2-difluoro-4,5-dinitrobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2-difluoro-4,5-dinitrobenzene(85686-97-1)
• EPA Substance Registry System: 1,2-difluoro-4,5-dinitrobenzene(85686-97-1)

Safety Data

• Hazardous Substances Data: 85686-97-1(Hazardous Substances Data)

Usage

Uses

Used in Dye Production:
1,2-difluoro-4,5-dinitrobenzene is used as a chemical intermediate for the production of dyes, contributing to the synthesis of various colorants used in different industries.
Used in Organic Compounds Synthesis:
1,2-difluoro-4,5-dinitrobenzene serves as a key intermediate in the synthesis of other organic compounds, playing a crucial role in the creation of a wide range of chemical products.
Used in Pharmaceutical Manufacturing:
1,2-difluoro-4,5-dinitrobenzene is utilized in the manufacture of pharmaceuticals, where it may be involved in the development of drugs or as a component in the production process.
Used in Chemical Research:
Due to its unique properties, 1,2-difluoro-4,5-dinitrobenzene is also employed in chemical research for studying reactions and exploring new applications in the field of chemistry.

Upstream product

• 367-11-3 ortho-difluorobenzene 
• 369-34-6 3,4-difluoronitrobenzene 

Downstream Products

• 144692-75-1 6,13,20,39-tetramethyl-2,3,9,10,16,17,23,24-octanitro-29,31,33,35-tetrapentyl-27,37:28,36-dimetheno-29H,31H,33H,35H-dibenzobis<1,7>benzodioxonino<3,2-j:3',2'-j'>benzo<1,2-e:5,4-e'>bis<1,3>benzodioxonin 
• 196860-34-1 (17s,18s,19s,20s)-17,18,19,20-tetraundecyl-3⁴,3⁵,7⁴,7⁵,11⁴,11⁵,15⁴,15⁵-octanitro-2,4,6,8,10,12,14,16-octaoxa-3,7,11,15(1,2),1,5,9,13(1,2,4,5)-octabenzenapentacyclo[11.3.1.1^1,5.1^5,9.1^9,13]icosaphane 
• 468728-60-1 C₅₄H₄₀N₆O₂₀ 
• 301210-46-8 C₁₁₄H₁₄₈N₈O₁₈ 
• 242129-43-7 C₉₀H₁₁₂O₂₀N₆ 

Relevant articles and documents

New cysteine protease inhibitors: Electrophilic (Het)arenes and unexpected prodrug identification for the trypanosoma protease rhodesain

Electrophilic (het)arenes can undergo reactions with nucleophiles yielding π- or Meisenheimer (σ-) complexes or the products of the SNAr addition/elimination reactions. Such building blocks have only rarely been employed for the design of enzyme inhibitors. Herein, we demonstrate the combination of a peptidic recognition sequence with such electrophilic (het)arenes to generate highly active inhibitors of disease-relevant proteases. We further elucidate an unexpected mode of action for the trypanosomal protease rhodesain using NMR spectroscopy and mass spectrometry, enzyme kinetics and various types of simulations. After hydrolysis of an ester function in the recognition sequence of a weakly active prodrug inhibitor, the liberated carboxylic acid represents a highly potent inhibitor of rhodesain (Ki = 4.0 nM). The simulations indicate that, after the cleavage of the ester, the carboxylic acid leaves the active site and re-binds to the enzyme in an orientation that allows the formation of a very stable π-complex between the catalytic dyad (Cys-25/His-162) of rhodesain and the electrophilic aromatic moiety. The reversible inhibition mode results because the SNAr reaction, which is found in an alkaline solvent containing a low molecular weight thiol, is hindered within the enzyme due to the presence of the positively charged imidazolium ring of His-162. Comparisons between measured and calculated NMR shifts support this interpretation.

Preparation method of fusion casting carrier 1, 2-difluoro-4, 5-dinitrobenzene

The invention provides a preparation method of a fusion casting carrier 1, 2-difluoro-4, 5-dinitrobenzene. The preparation method comprises the following steps: reacting 3, 4-difluoronitrobenzene usedas a raw material with nitro-sulfuric acid used as a nitrating agent for 0.5-10 hours, pouring the nitrated solution into ice water, filtering, washing, and drying to obtain the 1, 2-difluoro-4, 5-dinitrobenzene. The invention also provides an application of the fusion casting carrier 1, 2-difluoro-4, 5-dinitrobenzene as a fusion casting carrier. The preparation method is short in reaction time,low in reaction temperature, simple in technological operation and suitable for industrial production.

Aqueous self-assembly of an electroluminescent double-helical metallopolymer

A new type of water-soluble copper-containing polymer has been synthesized using the technique of subcomponent self-assembly. Copper(I)-directed imine bond formation between triethylene glycol functionalized 1,2-phenylenediamine and 2,9-diformylphenanthroline subcomponents resulted in the formation of a chain in which two conjugated helical ligand strands wrap around a linear array of metal ions. Characterization data from a variety of analytical methods are consistent with our formulation of this material. After purification by dialysis, the polymer was shown to possess several properties of conceptual and practical interest. (1) Individual double-helical strands appear to further aggregate through entanglement of their side chains to form well-defined superstructures such as nanoscale bow ties and macrocycles, which can be imaged on a surface. (2) The material's copper(I) ions underwent reversible electrochemical oxidation in solution, whereas analogous model compounds were observed to decompose upon oxidation: the polymer's greater length appeared to stabilize oxidized states through delocalization or entrapment. (3) Photophysical measurements reveal this material to be photo- and electroluminescent. It has been successfully used for the fabrication of electroluminescent devices and shows a weak emission of white-blue light with CIE coordinates of (0.337, 0.359). This study further demonstrates the utility of the technique of subcomponent self-assembly for the straightforward generation of materials with useful properties.