3-Nitrobenzoyl isocyanate

Base Information

Chemical Name:3-Nitrobenzoyl isocyanate
CAS No.:5843-49-2
Molecular Formula:C8H4N2O4
Molecular Weight:192.131
Hs Code.:
DSSTox Substance ID:DTXSID80503367

Synonyms:3-Nitrobenzoyl isocyanate;5843-49-2;Benzoyl isocyanate, 3-nitro-;m-nitrobenzoyl isocyanate;SCHEMBL6997964;DTXSID80503367;OISURQQTGOWXAJ-UHFFFAOYSA-N

Suppliers and Price of 3-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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price

Total 1 raw suppliers

Chemical Property of 3-Nitrobenzoyl isocyanate

Chemical Property:

XLogP3:3
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:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-Nitrobenzoyl isocyanate

There total 6 articles about 3-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: 78.0%

: 917-61-3
sodium isocyanate

: 121-90-4
m-nitrobenzoic acid chloride

: 5843-49-2
isocyanate de nitro-3 benzoyle

Guidance literature:: tin(IV) chloride; In 1,2-dichloro-benzene; for 2h; Heating;
DOI:10.1016/S0040-4020(01)89797-0

Reference yield:

: 79-37-8
oxalyl dichloride

: 645-09-0
3-nitrobenzamide

: 5843-49-2
isocyanate de nitro-3 benzoyle

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

Reference yield:

: 121-90-4
m-nitrobenzoic acid chloride

: 5843-49-2
isocyanate de nitro-3 benzoyle

Guidance literature:: Multi-step reaction with 2 steps

1: conc. NH₄OH / ethyl acetate / 0.17 h

2: CH₂Cl₂ / Heating

With ammonium hydroxide; In dichloromethane; ethyl acetate;
DOI:10.1021/jm00109a015