1-(Isothiocyanatomethyl)-4-(trifluoromethyl)benzene

Base Information

Chemical Name:1-(Isothiocyanatomethyl)-4-(trifluoromethyl)benzene
CAS No.:41499-21-2
Molecular Formula:C9H6F3NS
Molecular Weight:217.215
Hs Code.:
DSSTox Substance ID:DTXSID80564195
Nikkaji Number:J2.477.158J
Mol file:41499-21-2.mol

Synonyms:1-(Isothiocyanatomethyl)-4-(trifluoromethyl)benzene;41499-21-2;Benzene, 1-(isothiocyanatomethyl)-4-(trifluoromethyl)-;SCHEMBL3849073;DTXSID80564195;4-trifluoromethylbenzyl isothiocyanate;AKOS012177629

Suppliers and Price of 1-(Isothiocyanatomethyl)-4-(trifluoromethyl)benzene

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 2 raw suppliers

Chemical Property of 1-(Isothiocyanatomethyl)-4-(trifluoromethyl)benzene

Chemical Property:

XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:217.01730486
Heavy Atom Count:14
Complexity:225

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CN=C=S)C(F)(F)F

Technology Process of 1-(Isothiocyanatomethyl)-4-(trifluoromethyl)benzene

There total 7 articles about 1-(Isothiocyanatomethyl)-4-(trifluoromethyl)benzene 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: 87.0%

: 3300-51-4
p-Trifluoromethylbenzylamine

: 96989-50-3
di-2-pyridyl thionocarbonate

: 41499-21-2
1-(isothiocyanatomethyl)-4-(trifluoromethyl)benzene

Guidance literature:: In dichloromethane; for 17h; Inert atmosphere;
DOI:10.1002/cmdc.201800348

Reference yield: 80.0%

: C₉H₈NS₂F₃*C₆H₁₅N

: 41499-21-2
1-(isothiocyanatomethyl)-4-(trifluoromethyl)benzene

Guidance literature:: With p-toluenesulfonyl chloride; In tetrahydrofuran; at 0 - 22 ℃; for 1h;
DOI:10.1021/jo070246n

Reference yield: 60.0%

: 75-15-0,12122-00-8
carbon disulfide

: 3300-51-4
p-Trifluoromethylbenzylamine

: 41499-21-2
1-(isothiocyanatomethyl)-4-(trifluoromethyl)benzene

Guidance literature:: carbon disulfide; p-Trifluoromethylbenzylamine; With triethylamine; In ethanol; at 20 ℃; for 0.5h;

With dmap; di-tert-butyl dicarbonate; In ethanol; at 0 - 20 ℃; for 18h;
DOI:10.1021/jacs.1c10504