Difluoro(phenylsulfanyl)acetyl chloride

Base Information

Chemical Name:Difluoro(phenylsulfanyl)acetyl chloride
CAS No.:16503-77-8
Molecular Formula:C8H5ClF2OS
Molecular Weight:222.643
Hs Code.:2930909090
DSSTox Substance ID:DTXSID00514334
Mol file:16503-77-8.mol

Synonyms:difluoro(phenylsulfanyl)acetyl chloride;16503-77-8;2,2-difluoro-2-phenylsulfanylacetyl chloride;DTXSID00514334

Suppliers and Price of Difluoro(phenylsulfanyl)acetyl chloride

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

Total 5 raw suppliers

Chemical Property of Difluoro(phenylsulfanyl)acetyl chloride

Chemical Property:

Vapor Pressure:0.533mmHg at 25°C
Boiling Point:190.7oC at 760 mmHg
Flash Point:69.2oC
PSA：42.37000
Density:1.42g/cm3
LogP:3.13690
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:221.9717700
Heavy Atom Count:13
Complexity:193

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)SC(C(=O)Cl)(F)F

Technology Process of Difluoro(phenylsulfanyl)acetyl chloride

There total 4 articles about Difluoro(phenylsulfanyl)acetyl 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:

: 46207-56-1
2,2-difluoro-2-(phenylthio)acetic acid

: 16503-77-8
Difluor-phenylmercapto-acetylchlorid

Guidance literature:: With thionyl chloride; at 0 - 60 ℃;
DOI:10.1016/S0022-1139(03)00158-1

Reference yield:

: 108-98-5
thiophenol

: 16503-77-8
Difluor-phenylmercapto-acetylchlorid

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium hydride / dimethyl sulfoxide / 24 h / 20 °C

2.1: sodium hydroxide / acetonitrile / 5 h / 20 °C

2.2: pH 1

3.1: oxalyl dichloride / N,N-dimethyl-formamide; dichloromethane / 0 - 20 °C / Inert atmosphere

With oxalyl dichloride; sodium hydride; sodium hydroxide; In dichloromethane; dimethyl sulfoxide; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1039/d1cc05890h

Reference yield:

: 101068-11-5
ethyl 2,2-difluoro-2-(phenylthio)acetate

: 16503-77-8
Difluor-phenylmercapto-acetylchlorid

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydroxide / acetonitrile / 5 h / 20 °C

1.2: pH 1

2.1: oxalyl dichloride / N,N-dimethyl-formamide; dichloromethane / 0 - 20 °C / Inert atmosphere

With oxalyl dichloride; sodium hydroxide; In dichloromethane; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1039/d1cc05890h