Benzenebutanenitrile, beta-oxo-alpha-[3-(trifluoromethyl)phenyl]-

Base Information

Chemical Name:Benzenebutanenitrile, beta-oxo-alpha-[3-(trifluoromethyl)phenyl]-
CAS No.:68084-26-4
Molecular Formula:C17H12F3NO
Molecular Weight:303.284
Hs Code.:
European Community (EC) Number:268-435-0
DSSTox Substance ID:DTXSID90887145
Nikkaji Number:J289.040B
Mol file:68084-26-4.mol

Synonyms:68084-26-4;EINECS 268-435-0;4-Phenyl-2-(alpha,alpha,alpha-trifluoro-m-tolyl)acetoacetonitrile;Benzenebutanenitrile, .beta.-oxo-.alpha.-[3-(trifluoromethyl)phenyl]-;Benzenebutanenitrile, beta-oxo-alpha-(3-(trifluoromethyl)phenyl)-;Benzenebutanenitrile, beta-oxo-alpha-[3-(trifluoromethyl)phenyl]-;beta-Oxo-alpha-(3-(trifluoromethyl)phenyl)benzenebutyronitrile;BETA-OXO-ALPHA-[3-(TRIFLUOROMETHYL)PHENYL]BENZENEBUTYRONITRILE;C17H12F3NO;SCHEMBL10713795;DTXSID90887145;C17-H12-F3-N-O;(3-Trifluoromethylphenyl)-benzylcarbonyl-acetonitrile;beta-Oxo-alpha-[3-(trifluoromethyl)phenyl]benzenebutanenitrile

Suppliers and Price of Benzenebutanenitrile, beta-oxo-alpha-[3-(trifluoromethyl)phenyl]-

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-OXO-4-PHENYL-2-(3-TRIFLUOROMETHYL-PHENYL)BUTYRONITRILE 95.00%
5MG
$ 505.45

Total 5 raw suppliers

Chemical Property of Benzenebutanenitrile, beta-oxo-alpha-[3-(trifluoromethyl)phenyl]-

Chemical Property:

Boiling Point:348.9oC at 760 mmHg
Flash Point:164.8oC
PSA：40.86000
Density:1.259g/cm3
LogP:4.12438
XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:303.08709849
Heavy Atom Count:22
Complexity:431

Purity/Quality:

99% ^*data from raw suppliers

3-OXO-4-PHENYL-2-(3-TRIFLUOROMETHYL-PHENYL)BUTYRONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CC(=O)C(C#N)C2=CC(=CC=C2)C(F)(F)F

Technology Process of Benzenebutanenitrile, beta-oxo-alpha-[3-(trifluoromethyl)phenyl]-

There total 5 articles about Benzenebutanenitrile, beta-oxo-alpha-[3-(trifluoromethyl)phenyl]- 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: 94.1%