4-Cyano-2-(trifluoromethyl)phenylisothiocyanate

Base Information

Chemical Name:4-Cyano-2-(trifluoromethyl)phenylisothiocyanate
CAS No.:285125-02-2
Molecular Formula:C₉H₃F₃N₂S
Molecular Weight:228.197
Hs Code.:
DSSTox Substance ID:DTXSID60592739
Mol file:285125-02-2.mol

Synonyms:4-Cyano-2-(trifluoromethyl)phenylisothiocyanate;285125-02-2;4-isothiocyanato-3-(trifluoromethyl)benzonitrile;SCHEMBL7114407;DTXSID60592739;MFCD09800705;AKOS037652997;FS-6306;SY328683;2-(Trifluoromethyl)-4-cyanophenyl Isothiocyanate;4-Cyano-2-(trifluoromethyl)phenyl isothiocyanate

Suppliers and Price of 4-Cyano-2-(trifluoromethyl)phenylisothiocyanate

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
4-CYANO-2-(TRIFLUOROMETHYL)PHENYLISOTHIOCYANATE 95.00%
5MG
$ 499.93

Total 2 raw suppliers

Chemical Property of 4-Cyano-2-(trifluoromethyl)phenylisothiocyanate

Chemical Property:

Boiling Point:318.3±42.0 °C(Predicted)
Density:1.31±0.1 g/cm3(Predicted)
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:227.99690376
Heavy Atom Count:15
Complexity:324

Purity/Quality:

98% ^*data from raw suppliers

4-CYANO-2-(TRIFLUOROMETHYL)PHENYLISOTHIOCYANATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 4-Cyano-2-(trifluoromethyl)phenylisothiocyanate

There total 1 articles about 4-Cyano-2-(trifluoromethyl)phenylisothiocyanate 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: 99.0%

: 463-71-8
thiophosgene

: 327-74-2
4-cyano-2-trifluoromethylaniline

: 285125-02-2
4-isothiocyanato-3-(trifluoromethyl)benzonitrile

Guidance literature:: With sodium hydrogencarbonate; In water; toluene; at 0 - 75 ℃; for 120h; Inert atmosphere;
DOI:10.1016/j.ejmech.2016.04.052