1-Isothiocyanato-3-(trifluoromethoxy)benzene

Base Information

Chemical Name:1-Isothiocyanato-3-(trifluoromethoxy)benzene
CAS No.:471937-78-7
Molecular Formula:C8H4F3NOS
Molecular Weight:219.187
Hs Code.:2930909090
European Community (EC) Number:674-799-5
DSSTox Substance ID:DTXSID00409458
Mol file:471937-78-7.mol

Synonyms:1-isothiocyanato-3-(trifluoromethoxy)benzene;471937-78-7;3-(Trifluoromethoxy)phenylisothiocyanate;3-(trifluoromethoxy)phenyl isothiocyanate;MFCD07596437;SCHEMBL6699663;DTXSID00409458;AKOS003381729;SY041119;Isothiocyanate, 3-(trifluoromethoxy)phenyl;BB 0260241;EN300-133853;A914900

Suppliers and Price of 1-Isothiocyanato-3-(trifluoromethoxy)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

TRC
1-isothiocyanato-3-(trifluoromethoxy)benzene
100mg
$ 45.00

SynQuest Laboratories
1-Isothiocyanato-3-(trifluoromethoxy)benzene
25 g
$ 736.00

SynQuest Laboratories
1-Isothiocyanato-3-(trifluoromethoxy)benzene
1 g
$ 72.00

SynQuest Laboratories
1-Isothiocyanato-3-(trifluoromethoxy)benzene
5 g
$ 224.00

Oakwood
3-(Trifluoromethoxy)phenylisothiocyanate 97%
5g
$ 175.00

Matrix Scientific
1-Isothiocyanato-3-(trifluoromethoxy)benzene
500mg
$ 252.00

American Custom Chemicals Corporation
1-ISOTHIOCYANATO-3-(TRIFLUOROMETHOXY)BENZENE 95.00%
5G
$ 1443.75

American Custom Chemicals Corporation
1-ISOTHIOCYANATO-3-(TRIFLUOROMETHOXY)BENZENE 95.00%
1G
$ 808.50

American Custom Chemicals Corporation
1-ISOTHIOCYANATO-3-(TRIFLUOROMETHOXY)BENZENE 95.00%
0.5G
$ 726.00

AK Scientific
3-(Trifluoromethoxy)phenylisothiocyanate
5g
$ 286.00

Total 7 raw suppliers

Chemical Property of 1-Isothiocyanato-3-(trifluoromethoxy)benzene

Chemical Property:

Vapor Pressure:0.0703mmHg at 25°C
PSA：53.68000
LogP:3.31950
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:218.99656941
Heavy Atom Count:14
Complexity:237

Purity/Quality:

97% ^*data from raw suppliers

1-isothiocyanato-3-(trifluoromethoxy)benzene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1-Isothiocyanato-3-(trifluoromethoxy)benzene

There total 2 articles about 1-Isothiocyanato-3-(trifluoromethoxy)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: 50.0%

: 6160-65-2
1,1'-Thiocarbonyldiimidazole

: 1535-73-5
m-trifluoromethoxyaniline

: 471937-78-7
1-isothiocyanato-3-(trifluoromethoxy)benzene

Guidance literature:: In DMF (N,N-dimethyl-formamide); at 0 - 20 ℃; for 1.5h;

Reference yield:

: 463-71-8
thiophosgene

: 1535-73-5
m-trifluoromethoxyaniline

: 471937-78-7
1-isothiocyanato-3-(trifluoromethoxy)benzene

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 1h;

Reference yield: 43.0%

: 471937-78-7
1-isothiocyanato-3-(trifluoromethoxy)benzene

: (1s,4s)-4-((5-amino-2-((4-methyltetrahydro-2H-pyran-4-yl)amino)pyrimidin-4-yl)amino)cyclohexane-1-carboxamide

: (1s,4s)-4-(2-((4-methyltetrahydro-2H-pyran-4-yl)amino)-8-((3-(trifluoromethoxy)phenyl)amino)-9H-purin-9-yl)cyclohexane-1-carboxamide

Guidance literature:: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; N,N-dimethyl-formamide; at 60 ℃; for 4h;