2-Chloro-1-(4-chloro-2-hydroxyphenyl)ethanone

Base Information

• Chemical Name: 2-Chloro-1-(4-chloro-2-hydroxyphenyl)ethanone
• CAS No.: 75717-50-9
• Molecular Formula: C8H6 Cl2 O2
• Molecular Weight: 205.03804
• DSSTox Substance ID: DTXSID50504462
• Wikidata: Q82358979
• Mol file: 75717-50-9.mol

Synonyms:75717-50-9;2-Chloro-1-(4-chloro-2-hydroxyphenyl)ethan-1-one;2-Chloro-1-(4-chloro-2-hydroxyphenyl)ethanone;DTXSID50504462;EN300-1965479;Ethanone,2-chloro-1-(4-chloro-2-hydroxyphenyl)-(9ci)

Chemical Property of 2-Chloro-1-(4-chloro-2-hydroxyphenyl)ethanone

Chemical Property:

• Melting Point: 74-75 °C
• Boiling Point: 315.0±27.0 °C(Predicted)
• PKA: 6.56±0.35(Predicted)
• PSA: 37.30000
• Density: 1.436±0.06 g/cm3(Predicted)
• LogP: 2.46710
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.9744848
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

2,4'-Dichloro-2'-hydroxyacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)O)C(=O)CCl

Technology Process of 2-Chloro-1-(4-chloro-2-hydroxyphenyl)ethanone

There total 3 articles about 2-Chloro-1-(4-chloro-2-hydroxyphenyl)ethanone 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:

3-Chlorophenyl monochloroacetate (63573-05-7) → 2-chloro-1-(2-chloro-4-hydroxyphenyl)ethanone (857564-29-5) + 2-chloro-1-(4-chloro-2-hydroxy-phenyl)-ethanone (75717-50-9)

Guidance literature:

With carbon disulfide; aluminium trichloride;

DOI:10.1021/ja01588a061

Reference yield:

3-monochlorophenol (108-43-0) → 2-chloro-1-(4-chloro-2-hydroxy-phenyl)-ethanone (75717-50-9)

Guidance literature:

Multi-step reaction with 2 steps

2: AlCl₃; CS₂ / 140 °C

With carbon disulfide; aluminium trichloride;

DOI:10.1021/ja01588a061

Reference yield:

3-monochlorophenol (108-43-0) + chloroacetonitrile (107-14-2) → 2-chloro-1-(4-chloro-2-hydroxy-phenyl)-ethanone (75717-50-9)

Guidance literature:

With hydrogenchloride; aluminium trichloride; boron trichloride; Yield given. Multistep reaction; 1) 20 h, 1,2-dichloroethane, 2) 30 min;

DOI:10.1021/jo00314a046

upstream raw materials:

3-Chlorophenyl monochloroacetate

3-monochlorophenol

chloroacetonitrile