1-(2,3-Dichlorophenyl)ethanone

Base Information

• Chemical Name: 1-(2,3-Dichlorophenyl)ethanone
• CAS No.: 56041-57-7
• Molecular Formula: C8H6Cl2O
• Molecular Weight: 189.041
• Hs Code.: 2914700090
• European Community (EC) Number: 259-954-3
• UNII: WN2KG56TE3
• DSSTox Substance ID: DTXSID40204585
• Nikkaji Number: J296.547J
• Wikidata: Q72465388
• Mol file: 56041-57-7.mol

Synonyms:1-(2,3-dichlorophenyl)ethanone;56041-57-7;2',3'-Dichloroacetophenone;2,3-Dichloroacetophenone;1-(2,3-Dichlorophenyl)ethan-1-one;Ethanone, 1-(2,3-dichlorophenyl)-;MFCD00052988;WN2KG56TE3;EINECS 259-954-3;UNII-WN2KG56TE3;SCHEMBL699212;DTXSID40204585;1-(2,3-dichlorophenyl)-1-ethanone;BBL103357;STL557167;AKOS009158893;1-[2,3-bis(chloranyl)phenyl]ethanone;CS-W005790;DS-1808;PS-6045;2',3'-dichloroacetophenone, AldrichCPR;AC-18308;SY106381;FT-0640356;EN300-79415;A830897;Z1020765790;2 inverted exclamation mark ,3 inverted exclamation mark -Dichloroacetophenone

Chemical Property of 1-(2,3-Dichlorophenyl)ethanone

Chemical Property:

• Appearance/Colour: colorless to pale yellow liquid
• Vapor Pressure: 0.0258mmHg at 25°C
• Melting Point: 106℃
• Refractive Index: 1.558
• Boiling Point: 247.3 °C at 760 mmHg
• Flash Point: 101.3 °C
• PSA: 17.07000
• Density: 1.304 g/cm³
• LogP: 3.19600
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 187.9795702
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99%, ^*data from raw suppliers

1-(2,3-Dichlorophenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/38-36/37/38-22
• Safety Statements: 26-36/37/39-37/39-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2,3-Dichlorophenyl)ethanone

There total 7 articles about 1-(2,3-Dichlorophenyl)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: 75.0%

1,2-dichloro-benzene (95-50-1) → 2',3'-dichloroacetophenone (56041-57-7)

Guidance literature:

With n-butyllithium; acetic anhydride; In tetrahydrofuran; hexane;

Reference yield: 65.0%

2,3-Dichloro-α-methylbenzyl alcohol (54798-91-3) + sodium hydrogensulfite → 2',3'-dichloroacetophenone (56041-57-7)

Guidance literature:

With sodium hypochlorite; In acetic acid;

Reference yield: 60.66%

→ 2',3'-dichloroacetophenone (56041-57-7)

Guidance literature:

upstream raw materials:

methyl magnesium iodide

2,3-dichlorobenzonitrile

methylmagnesium bromide

2,3-Dichloro-α-methylbenzyl alcohol

Downstream raw materials:

2,3-Dichlorethylbenzol

1-(2',3'-dichlorophenyl)ethylamine

4-(2,3-dichlorophenyl)-1,3-thiazol-2-amine

N-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide

Refernces

• 1、 -. "Process for the preparation of lamotrigine". . . Retrieved 2008/06/13.
• 2、 Fuller,Molloy,Day,Roush,Marsh. "Inhibition of phenylethanolamine N-methyltransferase by benzylamines. 1. Structure-activity relationships.". . p. 101 - 106. Retrieved 2007/10/06.