Phenyl trifluoromethyl sulfide

Base Information

• Chemical Name: Phenyl trifluoromethyl sulfide
• CAS No.: 456-56-4
• Molecular Formula: C7H5F3S
• Molecular Weight: 178.178
• Hs Code.: 29309090
• European Community (EC) Number: 207-270-0
• DSSTox Substance ID: DTXSID50196568
• Nikkaji Number: J196.167E
• Wikidata: Q72513038
• Mol file: 456-56-4.mol

Synonyms:456-56-4;Phenyl trifluoromethyl sulfide;Trifluoromethylthiobenzene;(Trifluoromethylthio)benzene;[(trifluoromethyl)thio]benzene;((Trifluoromethyl)thio)benzene;PHENYL(TRIFLUOROMETHYL)SULFANE;trifluoromethylsulfanylbenzene;Benzene, [(trifluoromethyl)thio]-;trifluoromethyl phenyl sulfide;Phenyl trifluoromethyl sulphide;EINECS 207-270-0;Benzene, ((trifluoromethyl)thio)-;Phenyl trifluoromethylsulfide;SCHEMBL777056;phenyl (trifluoromethyl) sulfide;AMY5199;DTXSID50196568;[(Trifluoromethyl)sulfanyl]benzene;C7-H5-F3-S;[(Trifluoromethyl)sulfanyl]benzene #;MFCD00040839;Phenyl trifluoromethyl sulfide, 98%;alpha,alpha,alpha-Trifluorothioanisole;AKOS006222962;CS-0130332;FT-0632159;P1693;A826870;W-106117

Chemical Property of Phenyl trifluoromethyl sulfide

Chemical Property:

• Appearance/Colour: Colorless and Clear liquid
• Vapor Pressure: 33.3mmHg at 25°C
• Refractive Index: n20/D 1.466(lit.)
• Boiling Point: 106.2 °C at 760 mmHg
• Flash Point: 18 °C
• PSA: 25.30000
• Density: 1.3 g/cm³
• LogP: 3.29850
• Sensitive.: Stench
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 178.00640582
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

Phenyl Trifluoromethyl Sulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 10-36/37/38
• Safety Statements: 16-36-36/37/39-23

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC(F)(F)F
• Uses: Phenyl trifluoromethyl sulfide may be used in the preparation of: sulfoxides, dithiane dioxide, and dithiolane dioxide via iron-catalyzed oxidation of sulfides, dithiane, or dithiolane with hydrogen peroxidebenzophenone hydrazone derivativestrifluoro- and difluoromethylsilanes by reductive coupling of fluoromethyl sulfones, sulfoxides and sulfides with chlorosilanes

Technology Process of Phenyl trifluoromethyl sulfide

There total 102 articles about Phenyl trifluoromethyl sulfide 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: 91.0%

iodobenzene (591-50-4) + (trifluoromethyl)trimethylsilane (81290-20-2) → phenyl trifluoromethylsulfide (456-56-4)

Guidance literature:

With potassium phosphate; 1,10-Phenanthroline; sodium thiosulfate; copper(l) chloride; In dimethyl sulfoxide; at 80 ℃;

DOI:10.1016/j.tetlet.2014.07.039

Reference yield: 89.0%

bromobenzene (108-86-1,52753-63-6) + (trifluoromethyl)trimethylsilane (81290-20-2) → phenyl trifluoromethylsulfide (456-56-4)

Guidance literature:

With potassium phosphate; 1,10-Phenanthroline; sodium thiosulfate; copper(l) chloride; In dimethyl sulfoxide; at 80 ℃; for 24h; Temperature; Reagent/catalyst; Solvent;

DOI:10.1016/j.tetlet.2014.07.039

Reference yield: 89.0%

iodotrifluoromethane (2314-97-8,263005-66-9) + diphenyldisulfane (882-33-7) → phenyl trifluoromethylsulfide (456-56-4)

Guidance literature:

With Tetrakis(dimethylamino)ethylen; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 12h;

DOI:10.1021/jo060250j

upstream raw materials:

potassium trifluoroacetate

diphenyldisulfane

thiophenol

(trichloromethylthio)benzene

Downstream raw materials:

(trifluoromethylsulfonyl)benzene

4-trifluoromethylsulfanyl-m-phenylenediamine

3-phenyl-5-trifluoromethylsulfanyl-benzo[c]isoxazole

phenyl N-(trifluoromethanesulfonyl) trifluoromethyl sulfilimine

Refernces

• 1、 Pooput, Chaya,Medebielle, Maurice,Dolbier Jr., William R.. "A New and Efficient Method for the Synthesis of Trifluoromethylthio- and Selenoethers". . p. 301 - 303. Retrieved 2004.
• 2、 Roques, Nicolas. "Nucleophilic perfluoroalkylation of diaryldisulfides with perfluorocarboxylate salts". . p. 311 - 314. Retrieved 2001.
• 3、 Zheng, Changge,Jiang, Chao,Huang, Shuai,Zhao, Kui,Fu, Yingying,Ma, Mingyu,Hong, Jianquan. "Transition-Metal-Free Synthesis of Aryl Trifluoromethyl Thioethers through Indirect Trifluoromethylthiolation of Sodium Arylsulfinate with TMSCF3". supporting information. p. 6982 - 6986. Retrieved 2021/09/08.
• 4、 Joven-Sancho, Daniel,Baya, Miguel,Martín, Antonio,Orduna, Jesús,Menjón, Babil. "The First Organosilver(III) Fluoride, [PPh4][(CF3)3AgF]". supporting information. p. 4471 - 4475. Retrieved 2020/02/27.