3-(Trifluoromethylthio)Phenylacetonitrile

Base Information

Chemical Name:3-(Trifluoromethylthio)Phenylacetonitrile
CAS No.:82174-09-2
Molecular Formula:C9H6F3NS
Molecular Weight:217.215
Hs Code.:2930909090
DSSTox Substance ID:DTXSID70380705
Wikidata:Q82171115
Mol file:82174-09-2.mol

Synonyms:3-(Trifluoromethylthio)Phenylacetonitrile;82174-09-2;2-[3-(trifluoromethylsulfanyl)phenyl]acetonitrile;2-(3-((Trifluoromethyl)thio)phenyl)acetonitrile;2-(3-(trifluoromethylthio)phenyl)acetonitrile;2-[3-(trifluoromethylthio)phenyl]acetonitrile;2-{3-[(trifluoromethyl)sulfanyl]phenyl}acetonitrile;SCHEMBL11154063;DTXSID70380705;KAWIEADJQRWSEU-UHFFFAOYSA-N;MFCD00236353;AKOS015853048;CS-0269255;FT-0641849;EN300-1928379;A840264

Suppliers and Price of 3-(Trifluoromethylthio)Phenylacetonitrile

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
3-(Trifluoromethylthio)phenylacetonitrile
50mg
$ 65.00

TRC
3-(Trifluoromethylthio)phenylacetonitrile
10mg
$ 45.00

Matrix Scientific
3-(Trifluoromethylthio)phenylacetonitrile
1g
$ 40.00

Crysdot
2-(3-((Trifluoromethyl)thio)phenyl)acetonitrile 95+%
10g
$ 396.00

American Custom Chemicals Corporation
3-(TRIFLUOROMETHYLTHIO)PHENYL ACETONITRILE 95.00%
1G
$ 680.30

AK Scientific
3-(Trifluoromethylthio)phenylacetonitrile
1g
$ 104.00

AHH
3-(Trifluoromethylthio)phenylacetonitrile 98%
5g
$ 380.00

Total 14 raw suppliers

Chemical Property of 3-(Trifluoromethylthio)Phenylacetonitrile

Chemical Property:

Vapor Pressure:0.146mmHg at 25°C
Boiling Point:215.7°C at 760 mmHg
Flash Point:84.2°C
PSA：49.09000
Density:1.33g/cm³
LogP:3.36458
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:217.01730486
Heavy Atom Count:14
Complexity:230

Purity/Quality:

97% ^*data from raw suppliers

3-(Trifluoromethylthio)phenylacetonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:T
Statements: 20/21/22-36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)SC(F)(F)F)CC#N

Technology Process of 3-(Trifluoromethylthio)Phenylacetonitrile

There total 3 articles about 3-(Trifluoromethylthio)Phenylacetonitrile 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:

: 946-65-6
3-(trifluoromethylthio)benzoic acid

: 82174-09-2
<3-<(trifluoromethyl)thio>phenyl>acetonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: 55 percent / LiAlH₄ / diethyl ether; tetrahydrofuran / 6 h / Heating

2: SOCl₂ / 18 h / 25 °C

3: NaI / ethanol; H₂O / 1.5 h / Heating

With lithium aluminium tetrahydride; thionyl chloride; sodium iodide; In tetrahydrofuran; diethyl ether; ethanol; water;
DOI:10.1021/jm00350a012

Reference yield:

: 82174-08-1
3-<(trifluoromethyl)thio>benzyl alcohol

: 82174-09-2
<3-<(trifluoromethyl)thio>phenyl>acetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / 18 h / 25 °C

2: NaI / ethanol; H₂O / 1.5 h / Heating

With thionyl chloride; sodium iodide; In ethanol; water;
DOI:10.1021/jm00350a012