2-(Octyloxy)benzonitrile

Base Information

Chemical Name:2-(Octyloxy)benzonitrile
CAS No.:121554-14-1
Molecular Formula:C15H21 N O
Molecular Weight:231.338
Hs Code.:
European Community (EC) Number:622-876-9
DSSTox Substance ID:DTXSID10403109
Nikkaji Number:J1.390.713G
Wikidata:Q82206690
Mol file:121554-14-1.mol

Synonyms:2-(Octyloxy)benzonitrile;2-octoxybenzonitrile;121554-14-1;2-octyloxybenzonitrile;SCHEMBL3145001;DTXSID10403109;AKOS005876234

Suppliers and Price of 2-(Octyloxy)benzonitrile

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

American Custom Chemicals Corporation
2-(OCTYLOXY)BENZONITRILE 95.00%
1G
$ 1091.48

Total 2 raw suppliers

Chemical Property of 2-(Octyloxy)benzonitrile

Chemical Property:

Refractive Index:n20/D 1.506
Flash Point:125 °C
PSA：33.02000
Density:0.96 g/mL at 20 °C(lit.)
LogP:4.29758
XLogP3:5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:231.162314293
Heavy Atom Count:17
Complexity:230

Purity/Quality:

99.0%min ^*data from raw suppliers

2-(OCTYLOXY)BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 20/21/22
Safety Statements: 36

MSDS Files:

Useful:

Canonical SMILES:CCCCCCCCOC1=CC=CC=C1C#N

Technology Process of 2-(Octyloxy)benzonitrile

There total 3 articles about 2-(Octyloxy)benzonitrile 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: 96.0%

: 611-20-1
salicylonitrile

: 111-83-1
1-bromo-octane

: 121554-14-1
2-octyloxybenzonitrile

Guidance literature:: With potassium carbonate; In acetone;

Reference yield: 78.0%

: 60444-93-1
2-octyloxybenzamide

: 121554-14-1
2-octyloxybenzonitrile

Guidance literature:: 2-octyloxybenzamide; With Bromotrichloromethane; triphenylphosphine; In dichloromethane; for 0.416667h; Reflux;

With triethylamine; In dichloromethane; for 12h; Reflux;
DOI:10.3184/174751914X13891131118347