(4-Chlorophenyl) 2,2-dichloroacetate

Base Information

Chemical Name:(4-Chlorophenyl) 2,2-dichloroacetate
CAS No.:18133-57-8
Molecular Formula:C8H5Cl3O2
Molecular Weight:239.485
Hs Code.:2915400090
NSC Number:58630
DSSTox Substance ID:DTXSID60289036
Nikkaji Number:J1.157.147F
Wikidata:Q82026186
Mol file:18133-57-8.mol

Synonyms:(4-chlorophenyl) 2,2-dichloroacetate;18133-57-8;Dichloroacetic acid, 4-chlorophenyl ester;NSC58630;p-chlorophenyl dichloroacetate;DTXSID60289036;XBXQIOFECZDDPP-UHFFFAOYSA-N;NSC-58630

Suppliers and Price of (4-Chlorophenyl) 2,2-dichloroacetate

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 6 raw suppliers

Chemical Property of (4-Chlorophenyl) 2,2-dichloroacetate

Chemical Property:

Vapor Pressure:0.0032mmHg at 25°C
Boiling Point:283.2°Cat760mmHg
Flash Point:118.7°C
PSA：26.30000
Density:1.476g/cm³
LogP:3.04910
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:237.935512
Heavy Atom Count:13
Complexity:176

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1OC(=O)C(Cl)Cl)Cl

Technology Process of (4-Chlorophenyl) 2,2-dichloroacetate

There total 3 articles about (4-Chlorophenyl) 2,2-dichloroacetate 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: 60.0%

: 31582-70-4
4-chlorophenyl trichloroacetate

: 18133-57-8
4-chlorophenyl dichloroacetate

: C₁₆H₈Cl₄O₄

: 106-48-9,82344-39-6
4-chloro-phenol

Guidance literature:: With [2,2]bipyridinyl; copper(l) chloride; In benzene; for 2h; Solvent; stereoselective reaction; Schlenk technique; Inert atmosphere; Reflux; Cooling with ice;
DOI:10.1016/j.molstruc.2019.02.018

Reference yield: 22.0%

: 14112-49-3
Dichlor-dichlorphosphono-essigsaeure-chlorid

: 106-48-9,82344-39-6
4-chloro-phenol

: 18133-57-8
4-chlorophenyl dichloroacetate

: p-chlorophenyl ester of P,P-dichloride of phosphonodichloroacetic acid

Guidance literature:: In benzene; at 20 - 60 ℃; for 3h;
DOI:10.1134/S1070363216070161

Reference yield:

: 106-48-9,82344-39-6
4-chloro-phenol

: 18133-57-8
4-chlorophenyl dichloroacetate

: C₁₆H₈Cl₄O₄

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / diethyl ether / 0 - 5 °C

2: copper(l) chloride; [2,2]bipyridinyl / benzene / 2 h / Schlenk technique; Inert atmosphere; Reflux; Cooling with ice

With [2,2]bipyridinyl; triethylamine; copper(l) chloride; In diethyl ether; benzene;
DOI:10.1016/j.molstruc.2019.02.018