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1-Fluoro-2,4-dinitrobenzene

Base Information
  • Chemical Name:1-Fluoro-2,4-dinitrobenzene
  • CAS No.:70-34-8
  • Molecular Formula:C6H3FN2O4
  • Molecular Weight:186.099
  • Hs Code.:29049085
  • European Community (EC) Number:200-734-3
  • NSC Number:33519
  • UN Number:2811
  • UNII:D241E059U6
  • DSSTox Substance ID:DTXSID8025331
  • Nikkaji Number:J1.936D
  • Wikipedia:1-Fluoro-2,4-dinitrobenzene
  • Wikidata:Q161623
  • NCI Thesaurus Code:C440
  • Metabolomics Workbench ID:58517
  • ChEMBL ID:CHEMBL167423
  • Mol file:70-34-8.mol
1-Fluoro-2,4-dinitrobenzene

Synonyms:1 Fluoro 2,4 dinitrobenzene;1-Fluoro-2,4-dinitrobenzene;Dinitrofluorobenzene;DNFB;Fluorodinitrobenzene

Suppliers and Price of 1-Fluoro-2,4-dinitrobenzene
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • 2,4-Dinitrofluorobenzene
  • 100g
  • $ 200.00
  • TRC
  • 2,4-Dinitrofluorobenzene
  • 50g
  • $ 120.00
  • TCI Chemical
  • 2,4-Dinitrofluorobenzene >99.0%(GC)
  • 25g
  • $ 51.00
  • TCI Chemical
  • 2,4-Dinitrofluorobenzene [for HPLC Labeling] >99.0%(GC)
  • 5g
  • $ 42.00
  • TCI Chemical
  • 2,4-Dinitrofluorobenzene [for HPLC Labeling] >99.0%(GC)
  • 25g
  • $ 123.00
  • TCI Chemical
  • 2,4-Dinitrofluorobenzene >99.0%(GC)
  • 500g
  • $ 333.00
  • Sigma-Aldrich
  • 1-Fluoro-2,4-dinitrobenzene purum p.a., ≥98.0% (GC)
  • 250g
  • $ 340.00
  • Sigma-Aldrich
  • 1-Fluoro-2,4-dinitrobenzene ≥99%
  • 100ml
  • $ 716.00
  • Sigma-Aldrich
  • 1-Fluoro-2,4-dinitrobenzene for HPLC derivatization, ≥99.0% (GC)
  • 10x1g
  • $ 310.00
  • Sigma-Aldrich
  • 1-Fluoro-2,4-dinitrobenzene ≥99%
  • 25ml
  • $ 239.00
Total 2 raw suppliers
Chemical Property of 1-Fluoro-2,4-dinitrobenzene
Chemical Property:
  • Appearance/Colour:Yellow solid 
  • Vapor Pressure:0.000207mmHg at 25°C 
  • Melting Point:25-27 °C(lit.) 
  • Refractive Index:n20/D 1.569(lit.)  
  • Boiling Point:337.3 °C at 760 mmHg 
  • Flash Point:157.8 °C 
  • PSA:91.64000 
  • Density:1.586 g/cm3 
  • LogP:2.68850 
  • Storage Temp.:2-8°C 
  • Solubility.:chloroform: 0.1 g/mL, clear 
  • Water Solubility.:400 mg/L (25 ºC) 
  • XLogP3:1.6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:0
  • Exact Mass:186.00768474
  • Heavy Atom Count:13
  • Complexity:224
  • Transport DOT Label:Poison
Purity/Quality:

99% *data from raw suppliers

2,4-Dinitrofluorobenzene *data from reagent suppliers

Safty Information:
  • Pictogram(s): CorrosiveC,Toxic
  • Hazard Codes:C,T,Xn 
  • Statements: 22-33-34-42/43-40-23/24/25-43-36/38-36/37/38 
  • Safety Statements: 22-26-36/37/39-45-28A-23-7/9-36/37 
MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:
  • Chemical Classes:Nitrogen Compounds -> Nitros, Aromatic
  • Canonical SMILES:C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F
  • Uses A substituted benzene use in polypeptide sequencing (also referred to as Sanger’s reagent). Used in the derivitization of primary amines. Shown to inhibit the reductase activity of mitochondrial b-c1 complex isolated from beef heart mitochondria. 1-Fluoro-2,4-dinitrobenzene is used to identify the amino acid sequence. It reacts with amino group of amino acids to yield dinitrophenyl-amino acids. It is also used in chromatographic methods. Further, it acts as an alkylating agent used in elucidating amino acid sequence in proteins.
Technology Process of 1-Fluoro-2,4-dinitrobenzene

There total 20 articles about 1-Fluoro-2,4-dinitrobenzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:
Guidance literature:
With 2-fluoro-2-(piperidin-1-yl)-4-(2,3,5,6-tetrafluoropyridin-4-yl)-5-(2,4,6-triisopropylphenyl)-1,3-dithiole; In 1,4-dioxane; at 20 ℃; for 2h; Schlenk technique; Inert atmosphere;
DOI:10.1002/chem.201202292
Guidance literature:
With ammonium nitrate; trifluoroacetic anhydride; In acetonitrile; at -35 ℃; for 5h;
Guidance literature:
With nitric acid; Chloroacetic anhydride; at 50 ℃; for 4h;
Refernces

Synthetic studies related to diketopyrrolopyrrole (DPP) pigments. Part 3: Syntheses of tri- and tetra-aryl DPPs

10.1016/j.tet.2005.09.005

The study focuses on the synthetic methodologies for the preparation of tri- and tetra-aryl diketopyrrolopyrrole (DPP) pigments and their derivatives. The researchers investigated various novel synthetic approaches, including direct arylation, acylation, and cyclization reactions, to synthesize DPPs with different aryl substitutions. Key chemicals used in the study include 3,6-diphenyl-DPP, 1-fluoro-2,4-dinitrobenzene, N-arylbenzimidoyl chlorides, ethyl 2-aryl-4,5-dihydro-5-oxopyrrole-3-carboxylates, and benzonitrile. These chemicals served as starting materials, reagents, or intermediates in the synthesis of the target DPP pigments, which are known for their color strength, brightness, and low solubility in most solvents, making them useful as red pigments in commercial applications. The study aimed to develop new routes to synthesize DPPs with diverse N- and C-aryl substituents, which could potentially exhibit different properties and applications.

Conversion of an Oxime into the Corresponding Thio-oxime

10.1039/C3976000503a

The study presents a novel method for converting oximes into thio-oximes. The researchers used sodium t-butoxide to generate the thio-oximate anion from benzophenone oxime. This process involved several steps: first, benzophenone oxime was reacted with phenyl isothiocyanate in dimethylformamide (DMF) to form an intermediate oxime thiocarbamate (I). This intermediate was then rearranged to form N-diphenylmethylene-O-phenylthiocarbamoylhydroxylamine (II) under specific conditions, such as stirring in hexane under sunlight or allowing the solid form to remain at room temperature. The final step involved treating compound (II) with sodium t-butoxide in DMF to produce the thio-oximate anion, which was then reacted with 2,4-dinitrofluorobenzene to yield N-(2,4-dinitrophenylthio)diphenylmethyleneamine. The study highlights the synthesis and characterization of these compounds, providing a detailed pathway for the conversion of oximes to thio-oximes, with significant yields and detailed spectral and elemental analysis for product identification.

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