4-[2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl]benzonitrile

Base Information

Chemical Name:4-[2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl]benzonitrile
CAS No.:146653-56-7
Molecular Formula:C₁₆H₁₀F₃NO
Molecular Weight:289.257
Hs Code.:2926907090
European Community (EC) Number:604-534-0
UNII:4Q5B81528Y
ChEMBL ID:CHEMBL3188342
DSSTox Substance ID:DTXSID3044835
Nikkaji Number:J3.569.863I
Wikidata:Q27260357
Mol file:146653-56-7.mol

Synonyms:146653-56-7;2-(4-CYANOPHENYL)-3'-TRIFLUOROMETHYLACETOPHENONE;4-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]benzonitrile;4-(2-Oxo-2-(3-(trifluoromethyl)phenyl)ethyl)benzonitrile;4-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile;MFCD02260754;DTXSID3044835;4Q5B81528Y;Benzonitrile, 4-(2-oxo-2-(3-(trifluoromethyl)phenyl)ethyl)-;Metaflumizone-ketone;Benzonitrile, 4-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-;UNII-4Q5B81528Y;SCHEMBL2768058;CHEMBL3188342;DTXCID1024835;CMHGFDOROXXOOB-UHFFFAOYSA-N;Tox21_301222;AKOS016019529;NCGC00256171-01;PS-11017;CAS-146653-56-7;CS-0320917;Q27260357;2-(4-cyanophenyl)-3'-trifluoromethylacetophenone, AldrichCPR;4-[2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl]benzonitrile

Suppliers and Price of 4-[2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl]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

TRC
2-(4-Cyanophenyl)-3''-trifluoromethylacetophenone
500mg
$ 795.00

TRC
2-(4-Cyanophenyl)-3''-trifluoromethylacetophenone
100mg
$ 175.00

SynQuest Laboratories
4-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile
25 g
$ 2400.00

SynQuest Laboratories
4-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile
5 g
$ 912.00

SynQuest Laboratories
4-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile
1 g
$ 269.00

Rieke Metals
2-(4-Cyanophenyl)-3'-trifluoromethylacetophenone 97%
1g
$ 366.00

Rieke Metals
2-(4-Cyanophenyl)-3'-trifluoromethylacetophenone 97%
2g
$ 580.00

Rieke Metals
2-(4-Cyanophenyl)-3'-trifluoromethylacetophenone 97%
5g
$ 1250.00

Matrix Scientific
2-(4-Cyanophenyl)-3'-trifluoromethylacetophenone 97%
1g
$ 385.00

Matrix Scientific
2-(4-Cyanophenyl)-3'-trifluoromethylacetophenone 97%
5g
$ 1165.00

Total 7 raw suppliers

Chemical Property of 4-[2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl]benzonitrile

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:384.4±42.0 °C(Predicted)
Density:1.30±0.1 g/cm3(Predicted)
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:289.07144843
Heavy Atom Count:21
Complexity:415

Purity/Quality:

≥99% ^*data from raw suppliers

2-(4-Cyanophenyl)-3''-trifluoromethylacetophenone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)C(F)(F)F)C(=O)CC2=CC=C(C=C2)C#N
Uses Metaflumizone(M225825) which is a semicarbazone insecticide that works by blocking sodium channel in target insects resulting in paralyzation associated with blocking nerve activity. Metaflumizone is useful as a heartworm control treatment.

Technology Process of 4-[2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl]benzonitrile

There total 5 articles about 4-[2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl]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%

: 116332-62-8
N-methoxy-N-methyl-3-trifluoromethylbenzamide

: 874-86-2
4-cyanobenzyl chloride

: 146653-56-7
1-(4-cyano)benzyl-1-(3-trifluoromethyl)phenylketone

Guidance literature:: 4-cyanobenzyl chloride; With iodine; magnesium; In tetrahydrofuran; at 70 - 80 ℃; for 0.5h; Inert atmosphere;

N-methoxy-N-methyl-3-trifluoromethylbenzamide; In tetrahydrofuran; at 70 - 80 ℃; for 1h; Reagent/catalyst; Temperature; Inert atmosphere;

Reference yield: 95.4%

: N-methyl-N-ethoxy-3-trifluoromethylbenzamide

: 874-86-2
4-cyanobenzyl chloride

: 146653-56-7
1-(4-cyano)benzyl-1-(3-trifluoromethyl)phenylketone

Guidance literature:: 4-cyanobenzyl chloride; With iodine; magnesium; In tetrahydrofuran; at 70 - 80 ℃; for 0.5h; Inert atmosphere;

N-methyl-N-ethoxy-3-trifluoromethylbenzamide; In tetrahydrofuran; at 70 - 80 ℃; for 1h; Temperature; Inert atmosphere;