S-(Trifluoromethyl)-3,7-dinitrodibenzothiophenium trifluoromethanesulfonate

Base Information

Chemical Name:S-(Trifluoromethyl)-3,7-dinitrodibenzothiophenium trifluoromethanesulfonate
CAS No.:129922-37-8
Molecular Formula:C14H6F6N2O7S2
Molecular Weight:492.333
Hs Code.:2934999090
DSSTox Substance ID:DTXSID70380543
Mol file:129922-37-8.mol

Synonyms:S-(TRIFLUOROMETHYL)-3,7-DINITRODIBENZOTHIOPHENIUM TRIFLUOROMETHANESULFONATE;3,7-dinitro-5-(trifluoromethyl)dibenzothiophen-5-ium;trifluoromethanesulfonate;SCHEMBL5094785;DTXSID70380543;FT-0643118;S-(Trifluoromethyl)-3,7-dinitrodibenzothiophenium trifluoromethanesulphonate;3,7-Dinitro-5-(trifluoromethyl)dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate

Suppliers and Price of S-(Trifluoromethyl)-3,7-dinitrodibenzothiophenium trifluoromethanesulfonate

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
S-(TRIFLUOROMETHYL)-3,7-DINITRODIBENZOTHIOPHENIUMTRIFLUOROMETHANESULFONATE 95.00%
5G
$ 1170.31

AHH
S-(Trifluoromethyl)-3,7-dinitrodibenzothiopheniumtrifluoromethanesulfonate 95%
5g
$ 390.00

Total 10 raw suppliers

Chemical Property of S-(Trifluoromethyl)-3,7-dinitrodibenzothiophenium trifluoromethanesulfonate

Chemical Property:

Melting Point:130-135°C
Refractive Index: ">
Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：182.52000
Density:g/cm³
LogP:6.21810
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:0
Exact Mass:491.95206185
Heavy Atom Count:31
Complexity:614

Purity/Quality:

97% ^*data from raw suppliers

S-(TRIFLUOROMETHYL)-3,7-DINITRODIBENZOTHIOPHENIUMTRIFLUOROMETHANESULFONATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=C1[N+](=O)[O-])[S+](C3=C2C=CC(=C3)[N+](=O)[O-])C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

Technology Process of S-(Trifluoromethyl)-3,7-dinitrodibenzothiophenium trifluoromethanesulfonate

There total 6 articles about S-(Trifluoromethyl)-3,7-dinitrodibenzothiophenium trifluoromethanesulfonate 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: 85.0%

: 129946-88-9
Umemoto's reagent

: 129922-37-8
S-(trifluoromethyl)-3,7-dinitrodibenzothiophenium trifluoromethanesulfonate

Guidance literature:: With nitronium trifluoromethanesulfonate; for 72h; Ambient temperature;
DOI:10.1021/ja00059a009

Reference yield:

: 129922-51-6
2-<(trifluoromethyl)thio>biphenyl

: 129922-37-8
S-(trifluoromethyl)-3,7-dinitrodibenzothiophenium trifluoromethanesulfonate

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / F₂ / CCl₃F / 0 °C

2: 85 percent / TfONO₂ / 72 h / Ambient temperature

With nitronium trifluoromethanesulfonate; fluorine; In trichlorofluoromethane;
DOI:10.1021/ja00059a009

Reference yield:

: 2688-96-2
2-phenylbenzenethiol

: 129922-37-8
S-(trifluoromethyl)-3,7-dinitrodibenzothiophenium trifluoromethanesulfonate

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) NaH / 1.) DMF, 2.) DMF, irradiation, 2 h

2: 83 percent / F₂ / CCl₃F / 0 °C

3: 85 percent / TfONO₂ / 72 h / Ambient temperature

With nitronium trifluoromethanesulfonate; sodium hydride; fluorine; In trichlorofluoromethane;
DOI:10.1021/ja00059a009