2-Nitrobenzoyl isocyanate

Base Information

Chemical Name:2-Nitrobenzoyl isocyanate
CAS No.:5843-48-1
Molecular Formula:C₈H₄N₂O₄
Molecular Weight:192.131
Hs Code.:
DSSTox Substance ID:DTXSID001311953

Synonyms:2-nitrobenzoyl isocyanate;nitrobenzoyl isocyanate;2-nitrobenzoylisocyanate;5843-48-1;SCHEMBL2762737;ZZTXGLBRQLEFLX-UHFFFAOYSA-N;DTXSID001311953

Suppliers and Price of 2-Nitrobenzoyl isocyanate

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
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Total 0 raw suppliers

Chemical Property of 2-Nitrobenzoyl isocyanate

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:192.01710661
Heavy Atom Count:14
Complexity:290

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C(=O)N=C=O)[N+](=O)[O-]

Technology Process of 2-Nitrobenzoyl isocyanate

There total 5 articles about 2-Nitrobenzoyl 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:

: 79-37-8
oxalyl dichloride

: 610-15-1
2-nitrobenzamide

: 5843-48-1
2-Nitrobenzoyl isocyanate

Guidance literature:: In 1,2-dichloro-ethane;
DOI:10.1021/jo01023a501

Reference yield:

: amino benzalfluoride

: N-(2-nitrobenzoyl)-N'-[4-(5-chloro-2-pyrimidinyloxy)-3-difluoromethylphenyl]urea

: 5843-48-1
2-Nitrobenzoyl isocyanate

Guidance literature:: In 1,4-dioxane;

Reference yield:

: 552-16-9,104810-18-6
ortho-nitrobenzoic acid

: 5843-48-1
2-Nitrobenzoyl isocyanate

Guidance literature:: Multi-step reaction with 3 steps

1: oxalyl dichloride

2: ammonium hydroxide / dichloromethane / 3.5 h / 0 - 20 °C

3: 1,2-dichloro-ethane / 75 °C / Cooling with ice

With ammonium hydroxide; oxalyl dichloride; In dichloromethane; 1,2-dichloro-ethane;
DOI:10.1016/j.bmcl.2016.05.059