3-(4-Chloro-1-oxo-1,2-dihydroisoquinolin-7-YL)benzonitrile

Base Information

Chemical Name:3-(4-Chloro-1-oxo-1,2-dihydroisoquinolin-7-YL)benzonitrile
CAS No.:423158-52-5
Molecular Formula:C₁₆H₉ClN₂O
Molecular Weight:280.713
Hs Code.:
DSSTox Substance ID:DTXSID40702132
Wikidata:Q82633943
Mol file:423158-52-5.mol

Synonyms:423158-52-5;3-(4-CHLORO-1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL)BENZONITRILE;SCHEMBL7088319;DTXSID40702132;YFNDJSDKMVYZBW-UHFFFAOYSA-N;AKOS015966221;4-chloro-7-(3-cyanophenyl)isoquinolinone

Suppliers and Price of 3-(4-Chloro-1-oxo-1,2-dihydroisoquinolin-7-YL)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
3-(4-CHLORO-1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL)BENZONITRILE 95.00%
5MG
$ 499.06

Total 0 raw suppliers

Chemical Property of 3-(4-Chloro-1-oxo-1,2-dihydroisoquinolin-7-YL)benzonitrile

Chemical Property:

Vapor Pressure:1.26E-12mmHg at 25°C
Boiling Point:561.3°C at 760 mmHg
PKA:10.55±0.40(Predicted)
Flash Point:293.3°C
PSA：56.91000
Density:1.41g/cm³
LogP:4.13248
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:280.0403406
Heavy Atom Count:20
Complexity:478

Purity/Quality:: 3-(4-CHLORO-1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL)BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)C2=CC3=C(C=C2)C(=CNC3=O)Cl)C#N

Technology Process of 3-(4-Chloro-1-oxo-1,2-dihydroisoquinolin-7-YL)benzonitrile

There total 1 articles about 3-(4-Chloro-1-oxo-1,2-dihydroisoquinolin-7-YL)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: