3-(Hydroxymethyl)-4-nitrobenzonitrile

Base Information

Chemical Name:3-(Hydroxymethyl)-4-nitrobenzonitrile
CAS No.:90178-81-7
Molecular Formula:C₈H₆N₂O₃
Molecular Weight:178.147
Hs Code.:
DSSTox Substance ID:DTXSID80531100
Wikidata:Q82402695
Mol file:90178-81-7.mol

Synonyms:3-(Hydroxymethyl)-4-nitrobenzonitrile;90178-81-7;3-(Hydroxymethyl)-4-nitro-benzonitrile;SCHEMBL14681249;DTXSID80531100;AKOS030254847

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

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

TRC
3-(Hydroxymethyl)-4-nitro-benzonitrile
100mg
$ 120.00

Medical Isotopes, Inc.
3-(Hydroxymethyl)-4-nitro-benzonitrile
100 mg
$ 620.00

Total 4 raw suppliers

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

Chemical Property:

Melting Point:120-123oC
PSA：89.84000
LogP:1.48198
Storage Temp.:-20°C Freezer
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:178.03784206
Heavy Atom Count:13
Complexity:240

Purity/Quality:

≥99% ^*data from raw suppliers

3-(Hydroxymethyl)-4-nitro-benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C#N)CO)[N+](=O)[O-]
Uses 3-(Hydroxymethyl)-4-nitro-benzonitrile is a reactant used in the preparation of antimicrobial biscationic 2-(phenoxyphenyl)indoles and -1-benzofurans.

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

There total 1 articles about 3-(Hydroxymethyl)-4-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:

: 77376-03-5
(5-amino-2-nitro-phenyl)-methanol

: 544-92-3
copper(I) cyanide

: 90178-81-7
3-Hydroxymethyl-4-nitrobenzonitril

Guidance literature:: With sulfuric acid; sodium cyanide; urea; sodium nitrite; Yield given. Multistep reaction; 1) water, glacial acetic acid, 15 min; 2) water, 1 h, room temp.; 1 h, 45 deg C;
DOI:10.1002/jlac.198419840302

Reference yield:

: 90178-81-7
3-Hydroxymethyl-4-nitrobenzonitril

: 90178-63-5
2-<4-(4-Cyanphenoxy)phenyl>indol-5-carbonitril

Guidance literature:: Multi-step reaction with 3 steps

1: 0.25 h

2: 12 percent / 10 percent sodium methanolate / methanol / 1 h / Ambient temperature

3: 77 percent / triethylphosphite / 20 h / Heating

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

Reference yield:

: 90178-81-7
3-Hydroxymethyl-4-nitrobenzonitril

: 90178-67-9
5-Cyan-4'-(4-cyanphenoxy)-2-nitrostilben

Guidance literature:: Multi-step reaction with 2 steps

1: 0.25 h

2: 12 percent / 10 percent sodium methanolate / methanol / 1 h / Ambient temperature

With sodium methylate; In methanol;
DOI:10.1002/jlac.198419840302