Benzonitrile, 3-nitro-, N-oxide

Base Information

Chemical Name:Benzonitrile, 3-nitro-, N-oxide
CAS No.:7007-35-4
Molecular Formula:C7H4N2O3
Molecular Weight:164.12
Hs Code.:
DSSTox Substance ID:DTXSID60449991
Nikkaji Number:J948.323C
Wikidata:Q82269550

Synonyms:Benzonitrile, 3-nitro-, N-oxide;7007-35-4;3-Nitrobenzonitrileoxide;m-nitrobenzonitrile oxide;SCHEMBL2244987;DTXSID60449991

Suppliers and Price of Benzonitrile, 3-nitro-, N-oxide

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

Total 3 raw suppliers

Chemical Property of Benzonitrile, 3-nitro-, N-oxide

Chemical Property:

XLogP3:0.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:164.02219199
Heavy Atom Count:12
Complexity:234

Purity/Quality:: 99% ^*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#[N+][O-]

Technology Process of Benzonitrile, 3-nitro-, N-oxide

There total 9 articles about Benzonitrile, 3-nitro-, N-oxide 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:

: 3431-62-7,20747-39-1
3-nitrobenzaldoxime

: 7007-35-4
m-nitrobenzonitrile oxide

Guidance literature:: With pyridine; N-chloro-succinimide; at 60 ℃; for 0.5h;
DOI:10.1016/S0960-894X(02)00179-8

Reference yield:

: 33512-94-6
m-nitrobenzhydroxamoyl chloride

: 7007-35-4
m-nitrobenzonitrile oxide

Guidance literature:: With triethylamine; In diethyl ether; at -10 ℃; for 0.166667h;
DOI:10.1002/hlca.19910740306

Reference yield:

: 99-61-6
3-nitro-benzaldehyde

: 7007-35-4
m-nitrobenzonitrile oxide

Guidance literature:: Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride; sodium hydroxide / water; tert-butyl alcohol / 20 °C

2: chloroamine-T / water; tert-butyl alcohol / 20 °C

With hydroxylamine hydrochloride; chloroamine-T; sodium hydroxide; In water; tert-butyl alcohol;
DOI:10.1021/jm1008715