3-(Trifluoromethyl)benzyl thiocyanate

Base Information

Chemical Name:3-(Trifluoromethyl)benzyl thiocyanate
CAS No.:102859-64-3
Molecular Formula:C9H6F3NS
Molecular Weight:217.215
Hs Code.:
DSSTox Substance ID:DTXSID90553595
Wikidata:Q82434220
Mol file:102859-64-3.mol

Synonyms:3-(Trifluoromethyl)benzyl thiocyanate;102859-64-3;[3-(Trifluoromethyl)phenyl]methyl thiocyanate;Thiocyanic acid, [3-(trifluoromethyl)phenyl]methyl ester;({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)carbonitrile;DTXSID90553595;MFCD09025724;AKOS015852832

Suppliers and Price of 3-(Trifluoromethyl)benzyl thiocyanate

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

Total 4 raw suppliers

Chemical Property of 3-(Trifluoromethyl)benzyl thiocyanate

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:217.01730486
Heavy Atom Count:14
Complexity:230

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-(Trifluoromethyl)benzyl thiocyanate

There total 1 articles about 3-(Trifluoromethyl)benzyl thiocyanate 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: 91.0%

: 333-20-0
potassium thioacyanate

: 402-23-3
1-bromomethyl-3-trifluoromethylbenzene

: 102859-64-3
3-(trifluoromethyl)benzyl thiocyanate

Guidance literature:: In acetonitrile; at 20 ℃;
DOI:10.1016/j.tet.2010.11.104

Reference yield: 82.0%

: 590-14-7
1-bromo-1-propene

: 102859-64-3
3-(trifluoromethyl)benzyl thiocyanate

: 1274916-33-4
3-(trifluoromethyl)benzyl propynyl sulfide

Guidance literature:: 1-bromo-1-propene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 2h; Inert atmosphere;

3-(trifluoromethyl)benzyl thiocyanate; In tetrahydrofuran; hexane; at -78 - 20 ℃; Inert atmosphere;
DOI:10.1016/j.tet.2010.11.104