6-Oxo-6-(4-trifluoromethylphenyl)hexanenitrile

Base Information

Chemical Name:6-Oxo-6-(4-trifluoromethylphenyl)hexanenitrile
CAS No.:61718-88-5
Molecular Formula:C13H12F3NO
Molecular Weight:255.24
Hs Code.:2926909090
DSSTox Substance ID:DTXSID80605996
Wikidata:Q82504505

Synonyms:6-OXO-6-(4-TRIFLUOROMETHYLPHENYL)HEXANENITRILE;61718-88-5;6-oxo-6-[4-(trifluoromethyl)phenyl]hexanenitrile;MFCD02260655;SCHEMBL7338185;DTXSID80605996;UEGQWUAFHTVABM-UHFFFAOYSA-N;AKOS016019552;MS-21239;DB-296639

Suppliers and Price of 6-Oxo-6-(4-trifluoromethylphenyl)hexanenitrile

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

Rieke Metals
6-oxo-6-(4-trifluoromethylphenyl)hexanenitrile 97%
1g
$ 366.00

Rieke Metals
6-oxo-6-(4-trifluoromethylphenyl)hexanenitrile 97%
2g
$ 580.00

Rieke Metals
6-oxo-6-(4-trifluoromethylphenyl)hexanenitrile 97%
5g
$ 1250.00

Matrix Scientific
6-Oxo-6-(4-trifluoromethylphenyl)hexanenitrile 97%
5g
$ 1165.00

Matrix Scientific
6-Oxo-6-(4-trifluoromethylphenyl)hexanenitrile 97%
2g
$ 576.00

Matrix Scientific
6-Oxo-6-(4-trifluoromethylphenyl)hexanenitrile 97%
1g
$ 385.00

Crysdot
6-Oxo-6-(4-trifluoromethylphenyl)hexanenitrile 95+%
1g
$ 381.00

Crysdot
6-Oxo-6-(4-trifluoromethylphenyl)hexanenitrile 95+%
5g
$ 1156.00

American Custom Chemicals Corporation
6-OXO-6-(4-TRIFLUOROMETHYLPHENYL)HEXANENITRILE 95.00%
10G
$ 3031.88

American Custom Chemicals Corporation
6-OXO-6-(4-TRIFLUOROMETHYLPHENYL)HEXANENITRILE 95.00%
5G
$ 1988.91

Total 6 raw suppliers

Chemical Property of 6-Oxo-6-(4-trifluoromethylphenyl)hexanenitrile

Chemical Property:

Vapor Pressure:5.6E-06mmHg at 25°C
Boiling Point:380.1°C at 760 mmHg
Flash Point:183.7°C
PSA：40.86000
Density:1.193g/cm³
LogP:3.97208
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:255.08709849
Heavy Atom Count:18
Complexity:321

Purity/Quality:

97% ^*data from raw suppliers

6-oxo-6-(4-trifluoromethylphenyl)hexanenitrile 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 6-Oxo-6-(4-trifluoromethylphenyl)hexanenitrile

There total 2 articles about 6-Oxo-6-(4-trifluoromethylphenyl)hexanenitrile 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: 82.0%

: cyclobutanone O-(4-(trifluoromethyl)benzoyl) oxime

: 188912-47-2
trimethyl((1-(4-(trifluoromethyl)phenyl)vinyl)oxy)silane

: 61718-88-5
6-oxo-6-(4-(trifluoromethyl)phenyl)hexanenitrile

Guidance literature:: With 1,1'-bis-(diphenylphosphino)ferrocene; disodium hydrogenphosphate; triphenylphosphine; palladium dichloride; In 1,4-dioxane; at 25 ℃; for 12h; Schlenk technique; Inert atmosphere; Irradiation;
DOI:10.1039/c9cc08077e

Reference yield:

: 709-63-7
1-(4-trifluoromethylphenyl)ethanone

: 61718-88-5
6-oxo-6-(4-(trifluoromethyl)phenyl)hexanenitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium iodide / acetonitrile / 0.08 h / 25 °C / Schlenk technique; Inert atmosphere

1.2: 40 °C / Inert atmosphere; Schlenk technique

2.1: palladium dichloride; triphenylphosphine; 1,1'-bis-(diphenylphosphino)ferrocene; disodium hydrogenphosphate / 1,4-dioxane / 12 h / 25 °C / Schlenk technique; Inert atmosphere; Irradiation

With 1,1'-bis-(diphenylphosphino)ferrocene; disodium hydrogenphosphate; triphenylphosphine; sodium iodide; palladium dichloride; In 1,4-dioxane; acetonitrile;
DOI:10.1039/c9cc08077e