Propanedinitrile, (4-cyanophenyl)-

Base Information

Chemical Name:Propanedinitrile, (4-cyanophenyl)-
CAS No.:91879-92-4
Molecular Formula:C10H5N3
Molecular Weight:167.17
Hs Code.:
DSSTox Substance ID:DTXSID10458997
Nikkaji Number:J1.405.228C
Wikidata:Q82282584

Synonyms:Propanedinitrile, (4-cyanophenyl)-;2-(4-cyanophenyl)propanedinitrile;91879-92-4;2-(4-Cyanophenyl)malononitrile;SCHEMBL15660715;DTXSID10458997;QYCKIWZDOJSMOF-UHFFFAOYSA-N

Suppliers and Price of Propanedinitrile, (4-cyanophenyl)-

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 0 raw suppliers

Chemical Property of Propanedinitrile, (4-cyanophenyl)-

Chemical Property:

XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:167.048347172
Heavy Atom Count:13
Complexity:294

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C#N)C(C#N)C#N

Technology Process of Propanedinitrile, (4-cyanophenyl)-

There total 4 articles about Propanedinitrile, (4-cyanophenyl)- 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: 60.0%

: 623-00-7
4-bromobenzenecarbonitrile

: 109-77-3
malononitrile

: 91879-92-4
α-(p-cyanophenyl)malononitrile

Guidance literature:: With dibromobis(triphenylphosphine)nickel(II); potassium tert-butylate; triphenylphosphine; zinc; at 60 ℃; for 48h;
DOI:10.1016/S0040-4039(00)01500-8

Reference yield:

: 91879-98-0
<3-(1,2,3-triphenylcyclopropenyl)>(4'-cyanophenyl)malonitrile

: 91879-92-4
α-(p-cyanophenyl)malononitrile

: 16510-49-9
1,2,3-triphenylcyclopropene

Guidance literature:: With tetrabutylammonium tetrafluoroborate; In acetonitrile; at 25 ℃; Rate constant; Thermodynamic data; ΔG⁰, ΔG(excit.);
DOI:10.1021/j100275a005

Reference yield:

: 876-31-3
4-(cyanomethyl)benzonitrile

: 1122-85-6
phenyl cyanate

: 91879-92-4
α-(p-cyanophenyl)malononitrile

Guidance literature:: With sodium hydride; Multistep reaction; 1.) THF, reflux, overnight; 2.) allowed to warm to r.t., overnight;
DOI:10.1021/ja00334a043