Trifluoromethanesulfinyl Chloride

Base Information

• Chemical Name: Trifluoromethanesulfinyl Chloride
• CAS No.: 20621-29-8
• Molecular Formula: CCl F3 O S
• Molecular Weight: 152.525
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID40451613
• Nikkaji Number: J1.929.936H
• Mol file: 20621-29-8.mol

Synonyms:20621-29-8;Trifluoromethanesulfinyl Chloride;TRIFLUOROMETHYLSULFINYLCHLORIDE;trifluoromethylsulfinyl chloride;1,1,1-Trifluoromethanesulfinyl chloride;Methanesulfinyl chloride, 1,1,1-trifluoro-;Methanesulfinyl chloride, trifluoro-;CF3SOCl;SCHEMBL3132082;DTXSID40451613;Trifluoromethanesulfinic acid chloride;AKOS006303596;AS-65377;A905528

Chemical Property of Trifluoromethanesulfinyl Chloride

Chemical Property:

• Boiling Point: 149.4±35.0 °C(Predicted)
• PSA: 36.28000
• Density: 1.852±0.06 g/cm3(Predicted)
• LogP: 2.27440
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 151.9310480
• Heavy Atom Count: 7
• Complexity: 87.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

TrifluoromethylsulfinylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(F)(F)(F)S(=O)Cl

Technology Process of Trifluoromethanesulfinyl Chloride

There total 5 articles about Trifluoromethanesulfinyl Chloride 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: 75.0%

Langlois reagent (2926-29-6) → trifluoromethylsulfinyl chloride (20621-29-8)

Guidance literature:

With thionyl chloride; In chlorobenzene; at 40 ℃; for 6h;

Reference yield:

→ trifluoromethylsulfinyl chloride (20621-29-8) + potassium triflinate (41804-89-1)

Guidance literature:

Reference yield:

trifluoromethanesulfinyl fluoride (812-12-4) → Trifluoromethylsulfenyl chloride (421-17-0) + trifluoromethane sulfonyl chloride (421-83-0) + trifluoromethylsulfinyl chloride (20621-29-8)

Guidance literature:

With hydrogenchloride; at -183 ℃;

DOI:10.1021/ja01022a013

upstream raw materials:

trifluoromethanesulfinyl fluoride

Langlois reagent

N-(trichlorophosphoranylidene)trifluoromethanesulfinamide

Downstream raw materials:

(R)-4-Phenyl-3-((S)-trifluoromethanesulfinyl)-oxazolidin-2-one

4-fluorophenyl trifluoromethanesulfinate

Bis(trifluoromethyl)disulfid

Trifluoro-methanethiosulfonic acid S-trifluoromethyl ester

Refernces

• 1、 Wei, Jun,Bao, Kun,Qi, Chengcheng,Liu, Yao,Ni, Chuanfa,Sheng, Rong,Hu, Jinbo. "Transition-Metal-Free Electrophilic Fluoroalkanesulfinylation of Electron-Rich (Het)Arenes with Fluoroalkyl Heteroaryl Sulfones via C(Het)?S and S=O Bond Cleavage". supporting information. p. 5528 - 5533. Retrieved 2019/11/14.
• 2、 Hasegawa, Aiko,Ishikawa, Takuo,Ishihara, Kazuaki,Yamamoto, Hisashi. "Facile synthesis of aryl- and alkyl-bis(trifluoromethylsulfonyl)methanes". . p. 1401 - 1410. Retrieved 2007/10/03.