Acetonitrile, [(trifluoromethyl)sulfonyl]-

Base Information

Chemical Name:Acetonitrile, [(trifluoromethyl)sulfonyl]-
CAS No.:75988-01-1
Molecular Formula:C3H2F3NO2S
Molecular Weight:173.116
Hs Code.:
DSSTox Substance ID:DTXSID80402427
Wikidata:Q82205838

Synonyms:Acetonitrile, [(trifluoromethyl)sulfonyl]-;75988-01-1;2-(trifluoromethylsulfonyl)acetonitrile;2-triflylacetonitrile;3-(Trifluoromethylsulfonyl)acetonitrile;SCHEMBL8646469;DTXSID80402427;HBKKVMGRHRZRDN-UHFFFAOYSA-N;2-Trifluoromethanesulfonylacetonitrile;MFCD00965261;[(trifluoromethyl)sulfonyl]acetonitrile

Suppliers and Price of Acetonitrile, [(trifluoromethyl)sulfonyl]-

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

SynQuest Laboratories
2-(Trifluoromethylsulfonyl)acetonitrile 98%
1 g
$ 995.00

SynQuest Laboratories
2-(Trifluoromethylsulfonyl)acetonitrile 98%
250 mg
$ 395.00

Total 1 raw suppliers

Chemical Property of Acetonitrile, [(trifluoromethyl)sulfonyl]-

Chemical Property:

Boiling Point:258.1±40.0 °C(Predicted)
PSA：66.31000
Density:1.590±0.06 g/cm3(Predicted)
LogP:1.52538
XLogP3:0.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:172.97583397
Heavy Atom Count:10
Complexity:250

Purity/Quality:: 2-(Trifluoromethylsulfonyl)acetonitrile 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C(C#N)S(=O)(=O)C(F)(F)F

Technology Process of Acetonitrile, [(trifluoromethyl)sulfonyl]-

There total 3 articles about Acetonitrile, [(trifluoromethyl)sulfonyl]- 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: 81.0%

: 54007-47-5
trifluoromethylsulfonylacetamide

: 75988-01-1
2-((trifluoromethyl)sulfonyl)acetonitrile

Guidance literature:: With phosphorus pentoxide; at 160 - 170 ℃; for 2h;

Reference yield:

: 335-05-7
Trifluoromethanesulfonyl fluoride

: 75-05-8,26809-02-9
acetonitrile

: 75988-01-1
2-((trifluoromethyl)sulfonyl)acetonitrile

Guidance literature:: With n-butyllithium; Yield given. Multistep reaction; 1) THF, hexane, -78 deg C, 1 h, 2) THF, -78 deg C to r.t.;
DOI:10.1055/s-1991-28420

Reference yield:

: 358-23-6
trifluoromethylsulfonic anhydride

: 75-05-8,26809-02-9
acetonitrile

: 75988-01-1
2-((trifluoromethyl)sulfonyl)acetonitrile

Guidance literature:: With n-butyllithium; Yield given. Multistep reaction; 1) ether, hexane, -78 deg C, 1 h, 2) ether, hexane, 1 h;
DOI:10.1016/0040-4039(94)88065-4