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4-Nitrophenyl isocyanate

Base Information Edit
  • Chemical Name:4-Nitrophenyl isocyanate
  • CAS No.:100-28-7
  • Molecular Formula:C7H4N2O3
  • Molecular Weight:164.12
  • Hs Code.:29291090
  • European Community (EC) Number:202-836-3
  • NSC Number:9800
  • UNII:L4X2CUC34D
  • DSSTox Substance ID:DTXSID80870440
  • Nikkaji Number:J95.075K
  • Mol file:100-28-7.mol
4-Nitrophenyl isocyanate

Synonyms:4-Nitrophenyl isocyanate;100-28-7;1-Isocyanato-4-nitrobenzene;p-Nitrophenyl isocyanate;Benzene, 1-isocyanato-4-nitro-;4-Nitrophenylisocyanate;p-Nitrophenylisocyanate;1-isocyanato-4-nitro-benzene;Isocyanic acid, p-nitrophenyl ester;4-nitrophenylisocyanat;AI3-28253;NSC 9800;EINECS 202-836-3;NSC-9800;4-Nitrophenyl Isocyanate(1-Isocyanato-4-nitrobenzene);4-nitrophenylisocynate;para-nitrophenylisocyanate;4-nitro phenyl isocyanate;1-Nitro-4-isocyanatobenzene;L4X2CUC34D;SCHEMBL62027;1-nitro-4-isocyanato-benzene;4-Nitrophenyl isocyanate, 97%;DTXSID80870440;NSC9800;BBL104420;GEO-03995;MFCD00007306;STK504592;AKOS000202535;AB00871;LS-30395;BB 0254176;FT-0619263;EN300-19793;J-000084;Z104475412

Suppliers and Price of 4-Nitrophenyl isocyanate
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
  • TRC
  • 4-?NitrophenylIsocyanate(1-Isocyanato-4-nitrobenzene)
  • 25g
  • $ 725.00
  • TCI Chemical
  • 4-Nitrophenyl Isocyanate (contains varying amounts of polymers) >98.0%(GC)
  • 5g
  • $ 115.00
  • TCI Chemical
  • 4-Nitrophenyl Isocyanate (contains varying amounts of polymers) >98.0%(GC)
  • 25g
  • $ 332.00
  • Sigma-Aldrich
  • 4-Nitrophenyl isocyanate 97%
  • 25g
  • $ 125.00
  • Sigma-Aldrich
  • 4-Nitrophenyl isocyanate 97%
  • 5g
  • $ 39.30
  • Medical Isotopes, Inc.
  • 4-NitrophenylIsocyanate(1-Isocyanato-4-nitrobenzene)
  • 25 g
  • $ 1160.00
  • Alfa Aesar
  • 4-Nitrophenyl isocyanate, 97%
  • 25g
  • $ 97.70
  • Alfa Aesar
  • 4-Nitrophenyl isocyanate, 97%
  • 5g
  • $ 32.80
  • AK Scientific
  • 4-Nitrophenyl isocyanate
  • 25g
  • $ 118.00
  • AHH
  • 4-Nitrophenyl isocyanate 98%
  • 250g
  • $ 255.00
Total 38 raw suppliers
Chemical Property of 4-Nitrophenyl isocyanate Edit
Chemical Property:
  • Appearance/Colour:yellow crystalline solid 
  • Vapor Pressure:0.00684mmHg at 25°C 
  • Melting Point:56-59 °C(lit.) 
  • Refractive Index:1.589 
  • Boiling Point:270.4 °C at 760 mmHg 
  • Flash Point:121.2 °C 
  • PSA:75.25000 
  • Density:1.32 g/cm3 
  • LogP:2.08530 
  • Storage Temp.:2-8°C 
  • Sensitive.:Moisture Sensitive 
  • Solubility.:soluble in Benzene,Toluene 
  • Water Solubility.:Insoluble in water. 
  • XLogP3:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:1
  • Exact Mass:164.02219199
  • Heavy Atom Count:12
  • Complexity:209
Purity/Quality:

99% *data from raw suppliers

4-?NitrophenylIsocyanate(1-Isocyanato-4-nitrobenzene) *data from reagent suppliers

Safty Information:
  • Pictogram(s): HarmfulXn 
  • Hazard Codes:Xn 
  • Statements: 20/21/22-36/37/38-42 
  • Safety Statements: 22-26-36/37/39-45 
MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:
  • Canonical SMILES:C1=CC(=CC=C1N=C=O)[N+](=O)[O-]
  • Uses 4-Nitrophenyl isocyanate is used as pharmaceutical intermediates. 4-Nitrophenyl isocyanate was used in the synthesis of 2-(5-methyl-3,4-diphenyl-1H-pyrrole-2-carbonyl)-N-(4-nitrophenyl)hydrazinecarboxamide.
Technology Process of 4-Nitrophenyl isocyanate

There total 45 articles about 4-Nitrophenyl isocyanate 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:

Reference yield: 86.39%

Guidance literature:
In 1,2-dichloro-ethane; at 0 - 20 ℃; Reflux;
Guidance literature:
With sodium azide; In toluene; at 60 - 80 ℃; for 2h;
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