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1,4-Dinitrobenzene

Base Information Edit
  • Chemical Name:1,4-Dinitrobenzene
  • CAS No.:100-25-4
  • Molecular Formula:C6H4 N2 O4
  • Molecular Weight:168.109
  • Hs Code.:29042090
  • European Community (EC) Number:202-833-7
  • ICSC Number:0692
  • NSC Number:3809
  • UN Number:3443,1597
  • UNII:784Q9O56S9
  • DSSTox Substance ID:DTXSID0021836
  • Nikkaji Number:J1.178I,J2.152.479D
  • Wikipedia:1,4-Dinitrobenzene
  • Wikidata:Q2403718
  • Metabolomics Workbench ID:57729
  • ChEMBL ID:CHEMBL349400
  • Mol file:100-25-4.mol
1,4-Dinitrobenzene

Synonyms:1,4-dinitrobenzene;p-dinitrobenzene

Suppliers and Price of 1,4-Dinitrobenzene
Supply Marketing:Edit
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
  • TCI Chemical
  • 1,4-Dinitrobenzene >99.0%(GC)
  • 25g
  • $ 167.00
  • TCI Chemical
  • 1,4-Dinitrobenzene >99.0%(GC)
  • 5g
  • $ 46.00
  • Sigma-Aldrich
  • 1,4-Dinitrobenzene 98%
  • 5g
  • $ 58.60
  • Sigma-Aldrich
  • 1,4-Dinitrobenzene analytical standard
  • 442250
  • $ 55.80
  • Alfa Aesar
  • 1,4-Dinitrobenzene, 98+%
  • 25g
  • $ 155.00
  • Alfa Aesar
  • 1,4-Dinitrobenzene, 98+%
  • 100g
  • $ 621.00
  • Alfa Aesar
  • 1,4-Dinitrobenzene, 98+%
  • 5g
  • $ 46.00
  • AK Scientific
  • 1,4-Dinitrobenzene
  • 5g
  • $ 54.00
  • AHH
  • 1,4-Dinitrobenzene 98%
  • 100g
  • $ 435.00
Total 29 raw suppliers
Chemical Property of 1,4-Dinitrobenzene Edit
Chemical Property:
  • Appearance/Colour:light yellow powder 
  • Vapor Pressure:0.00206mmHg at 25°C 
  • Melting Point:170-173 °C(lit.)
     
  • Refractive Index:1.725 (589.3 nm) 
  • Boiling Point:183.4 °C34 mm Hg(lit.)
     
  • Flash Point:154.4°C 
  • PSA:91.64000 
  • Density:1.486g/cm3 
  • LogP:2.54940 
  • Storage Temp.:2-8°C 
  • Solubility.:alcohol: soluble1g in 300ml 
  • Water Solubility.:Soluble in water. (0.8 g/L) at 20°C. 
  • XLogP3:1.5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:0
  • Exact Mass:168.01710661
  • Heavy Atom Count:12
  • Complexity:165
  • Transport DOT Label:Poison
Purity/Quality:

99% *data from raw suppliers

1,4-Dinitrobenzene >99.0%(GC) *data from reagent suppliers

Safty Information:
  • Pictogram(s): A suspected carcinogen and poison by ingestion. TWA 0.15 ppm (skin). Mixture with nitric acid is a high explosive. 
  • Hazard Codes:T+,N,T,F 
  • Statements: 26/27/28-33-34-50/53-52/53-39/23/24/25-23/24/25-11 
  • Safety Statements: 28-36/37-45-60-61-16 
MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:
  • Chemical Classes:Nitrogen Compounds -> Nitros, Aromatic
  • Canonical SMILES:C1=CC(=CC=C1[N+](=O)[O-])[N+](=O)[O-]
  • Inhalation Risk:No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
  • Effects of Short Term Exposure:The substance is irritating to the eyes and respiratory tract. The substance may cause effects on the blood. This may result in the formation of methaemoglobin. The effects may be delayed. Medical observation is indicated.
  • Effects of Long Term Exposure:The substance may have effects on the blood. This may result in anaemia. The substance may have effects on the liver. This may result in liver impairment.
  • Physical properties Clear, colorless to white crystalline solid or monoclinic crystals. Slowly turns yellow on exposure to air.
  • Uses 1,4-Dinitrobenzene is used in a study to evaluate the ionization mechanism and solvent effect by novel atmospheric pressure photoionization mass spectrometry in negative ion mode for analysis of some compounds. 1,4-Dinitrobenzene can be used in synthesis of dyes and dye intermediates. manufacture of dyes, dye intermediates, explosives, plastics.
Technology Process of 1,4-Dinitrobenzene

There total 117 articles about 1,4-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 Iron(III) nitrate nonahydrate; phosphorus pentoxide; In neat (no solvent); at 20 ℃; for 6h; Overall yield = 98 percent; Milling; Green chemistry;
DOI:10.1016/j.tetlet.2021.153087
Guidance literature:
In water; acetone; for 23h; Ambient temperature;
DOI:10.1021/jo00285a027
Refernces Edit
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