1-(2,6-Dichlorophenyl)ethanone

Base Information

• Chemical Name: 1-(2,6-Dichlorophenyl)ethanone
• CAS No.: 2040-05-3
• Molecular Formula: C8H6Cl2O
• Molecular Weight: 189.041
• Hs Code.: 29147000
• European Community (EC) Number: 218-035-7
• UNII: 2Y6GD4KRT7
• DSSTox Substance ID: DTXSID70174348
• Nikkaji Number: J80.370G
• Wikidata: Q72465386
• Mol file: 2040-05-3.mol

Synonyms:2',6'-Dichloroacetophenone;2040-05-3;1-(2,6-Dichlorophenyl)ethanone;2,6-Dichloroacetophenone;Ethanone, 1-(2,6-dichlorophenyl)-;1-(2,6-Dichlorophenyl)ethan-1-one;2,6-Dichloro Acetophenone;2Y6GD4KRT7;MFCD00016339;2,6 dichloroacetophenone;2,6-dichloro-acetophenone;UNII-2Y6GD4KRT7;2',6'-dichloro acetophenone;SCHEMBL976845;2,6-dichlorophenyl methyl ketone;DTXSID70174348;1-(2,6-dichloro-phenyl)-ethanone;2',6'-Dichloroacetophenone, 97%;BCP26922;1-(2,6-Dichlorophenyl)ethanone #;EINECS 218-035-7;BBL103311;CL9262;STL557121;AKOS005146017;AC-3638;CS-W008361;PS-5419;SY035729;AM20030303;D4119;FT-0600964;EN300-57029;A19704;J-013280;2 inverted exclamation mark ,6 inverted exclamation mark -Dichloroacetophenone;2 inverted exclamation marka,6 inverted exclamation marka-Dichloroacetophenone

Chemical Property of 1-(2,6-Dichlorophenyl)ethanone

Chemical Property:

• Appearance/Colour: crystal
• Vapor Pressure: 0.219mmHg at 25°C
• Melting Point: 37-41 °C(lit.)
• Refractive Index: 1.548
• Boiling Point: 208 °C at 760 mmHg
• Flash Point: 82.2 °C
• PSA: 17.07000
• Density: 1.304 g/cm³
• LogP: 3.19600
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 187.9795702
• Heavy Atom Count: 11
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

2'',?6''-?Dichloroacetophenone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=C(C=CC=C1Cl)Cl
• Uses: 2',6'-Dichloroacetophenone is is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of 1-(2,6-Dichlorophenyl)ethanone

There total 7 articles about 1-(2,6-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: 94.0%

trimethyl(2,6-dichlorophenyl)silicium (20082-66-0) + acetyl chloride (75-36-5) → 2,6 dichloroacetophenone (2040-05-3)

Guidance literature:

With aluminium trichloride; In dichloromethane; at -40 ℃; for 2h;

DOI:10.1016/S0040-4020(01)80238-6

Reference yield: 74.0%

1-(2',6'-dichlorophenyl)-ethanol (53066-19-6) → 2,6 dichloroacetophenone (2040-05-3)

Guidance literature:

With nickel(II) triflate; cyclohexanone; 1,2-bis-(dicyclohexylphosphino)ethane; In toluene; at 110 ℃; for 12h; Schlenk technique;

DOI:10.1039/d0cc03966g

Reference yield:

methylaluminium sesquichloride + 2,6-Dichlorobenzoyl chloride (4659-45-4) → 2,6 dichloroacetophenone (2040-05-3)

Guidance literature:

With aluminium trichloride; at 40 ℃;

upstream raw materials:

1-(2',6'-dichlorophenyl)-ethanol

methyl magnesium iodide

2,6-dichloro-benzonitrile

trimethyl(2,6-dichlorophenyl)silicium

Downstream raw materials:

1-ethyl-2,6-dichlorobenzene

ethyl 3-(2,6-dichlorophenyl)-3-oxopropanoate

(E)-1,3-Bis-(2,6-dichloro-phenyl)-propenone

1,3-bis(2,6-dichlorophenyl)-3-hydroxy-1-propanone

Refernces

• 1、 Bennetau, Bernard,Rajarison, Florent,Dunogues, Jacques,Babin, Pierre. "-". . p. 10843 - 10854. Retrieved 2007/10/02.
• 2、 -. "Process for the manufacture of ketones". . . Retrieved 2008/06/13.