2-Bromo-4-trifluoromethylphenylisothiocyanate

Base Information

Chemical Name:2-Bromo-4-trifluoromethylphenylisothiocyanate
CAS No.:688763-22-6
Molecular Formula:C8H3BrF3NS
Molecular Weight:282.084
Hs Code.:2930909090
European Community (EC) Number:673-927-7
DSSTox Substance ID:DTXSID00373766
Mol file:688763-22-6.mol

Synonyms:2-Bromo-4-trifluoromethylphenylisothiocyanate;688763-22-6;2-bromo-1-isothiocyanato-4-(trifluoromethyl)benzene;DTXSID00373766;UMSVAXACZNPHEM-UHFFFAOYSA-N;AKOS037652980;FS-5978

Suppliers and Price of 2-Bromo-4-trifluoromethylphenylisothiocyanate

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
2-BROMO-4-TRIFLUOROMETHYLPHENYLISOTHIOCYANATE 98.00%
5G
$ 1674.75

AHH
2-Bromo-4-trifluoromethylphenylisothiocyanate 98%
5g
$ 330.00

Total 7 raw suppliers

Chemical Property of 2-Bromo-4-trifluoromethylphenylisothiocyanate

Chemical Property:

PSA：44.45000
LogP:4.20220
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:280.91217
Heavy Atom Count:14
Complexity:250

Purity/Quality:

98%min ^*data from raw suppliers

2-BROMO-4-TRIFLUOROMETHYLPHENYLISOTHIOCYANATE 98.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-4-trifluoromethylphenylisothiocyanate

There total 3 articles about 2-Bromo-4-trifluoromethylphenylisothiocyanate 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: 53.6%

: 2926-29-6
Langlois reagent

: 57946-63-1
4-amino-3-bromobenzotrifluoride

: 688763-22-6
2-bromo-1-isothiocyanato-4-(trifluoromethyl)benzene

Guidance literature:: With copper(l) iodide; phosphonic acid diethyl ester; In toluene; at 110 ℃; for 16h; Sealed tube; Inert atmosphere;
DOI:10.1016/j.ejmech.2019.111694