4-(Iodomethyl)-3-nitrobenzonitrile

Base Information

Chemical Name:4-(Iodomethyl)-3-nitrobenzonitrile
CAS No.:90178-76-0
Molecular Formula:C8H5IN2O2
Molecular Weight:288.044
Hs Code.:
DSSTox Substance ID:DTXSID90531095
Wikidata:Q82402686

Synonyms:4-(Iodomethyl)-3-nitrobenzonitrile;90178-76-0;SCHEMBL14534091;DTXSID90531095

Suppliers and Price of 4-(Iodomethyl)-3-nitrobenzonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-(Iodomethyl)-3-nitrobenzonitrile

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:287.93957
Heavy Atom Count:13
Complexity:242

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=C(C=C1C#N)[N+](=O)[O-])CI

Technology Process of 4-(Iodomethyl)-3-nitrobenzonitrile

There total 1 articles about 4-(Iodomethyl)-3-nitrobenzonitrile 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: 76.0%

: 90178-80-6
4-(chloromethyl)-3-nitrobenzonitrile

: 90178-76-0
4-Cyan-2-nitrobenzyliodid

Guidance literature:: With sodium iodide; In acetone; for 6h;
DOI:10.1002/jlac.198419840302

Reference yield: 79.0%

: 90178-76-0
4-Cyan-2-nitrobenzyliodid

: 122-52-1
triethyl phosphite

: 90178-77-1
Diethyl-(4-cyan-2-nitrobenzyl)phosphonat

Guidance literature:: In toluene; for 1.5h; Heating;
DOI:10.1002/jlac.198419840302

Reference yield:

: 90178-76-0
4-Cyan-2-nitrobenzyliodid

: 90178-90-8
6-(2-Imidazolin-2-yl)-2-<4-<4-(2-imidazolin-2-yl)phenoxy>phenyl>indol-dihydrochlorid

Guidance literature:: Multi-step reaction with 4 steps

1: 79 percent / toluene / 1.5 h / Heating

2: 76 percent / 10 percent sodium methanolate / methanol / 2 h / Ambient temperature

3: 78 percent / triethylphosphite / 20 h / Heating

4: 2) 2N HCl / 2) 1 h

With hydrogenchloride; sodium methylate; triethyl phosphite; In methanol; toluene;
DOI:10.1002/jlac.198419840302