1-(Benzylsulfanyl)-4-nitro-2-(trifluoromethyl)benzene

Base Information

Chemical Name:1-(Benzylsulfanyl)-4-nitro-2-(trifluoromethyl)benzene
CAS No.:60789-51-7
Molecular Formula:C14H10F3NO2S
Molecular Weight:313.3
Hs Code.:
DSSTox Substance ID:DTXSID30489783

Synonyms:1-(Benzylsulfanyl)-4-nitro-2-(trifluoromethyl)benzene;60789-51-7;SCHEMBL6197626;DTXSID30489783;HTUBJXRFYLVYJB-UHFFFAOYSA-N

Suppliers and Price of 1-(Benzylsulfanyl)-4-nitro-2-(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 0 raw suppliers

Chemical Property of 1-(Benzylsulfanyl)-4-nitro-2-(trifluoromethyl)benzene

Chemical Property:

XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:313.03843422
Heavy Atom Count:21
Complexity:353

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

Technology Process of 1-(Benzylsulfanyl)-4-nitro-2-(trifluoromethyl)benzene

There total 3 articles about 1-(Benzylsulfanyl)-4-nitro-2-(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: 43.0%

: 2943-26-2
S-benzyl O-ethylxanthate

: 777-37-7
4-chloro-3-(trifluoromethyl)nitrobenzene

: 60789-51-7
benzyl(4-nitro-2-(trifluoromethyl)phenyl)sulfane

Guidance literature:: With caesium carbonate; In methanol; at 70 ℃; Sealed tube;
DOI:10.1002/ejoc.202100647

Reference yield:

: 777-37-7
4-chloro-3-(trifluoromethyl)nitrobenzene

: 538-28-3,860511-29-1
S-benzylisothiourea hydrochloride

: 60789-51-7
benzyl(4-nitro-2-(trifluoromethyl)phenyl)sulfane

Guidance literature:: With potassium hydroxide; In ethanol;
DOI:10.1021/jm00207a001

Reference yield:

: 100-39-0
benzyl bromide

: 60789-51-7
benzyl(4-nitro-2-(trifluoromethyl)phenyl)sulfane

Guidance literature:: Multi-step reaction with 2 steps

1: acetone / 4 h / 25 °C

2: caesium carbonate / methanol / 70 °C / Sealed tube

With caesium carbonate; In methanol; acetone;
DOI:10.1002/ejoc.202100647