1-(5-Chloro-2-fluorophenyl)ethanone

Base Information

• Chemical Name: 1-(5-Chloro-2-fluorophenyl)ethanone
• CAS No.: 541508-27-4
• Molecular Formula: C8H6ClFO
• Molecular Weight: 172.5840432
• Hs Code.: 2914700090
• European Community (EC) Number: 642-726-6
• DSSTox Substance ID: DTXSID50378569
• Wikidata: Q72450398
• Mol file: 541508-27-4.mol

Synonyms:1-(5-chloro-2-fluorophenyl)ethanone;541508-27-4;5'-Chloro-2'-fluoroacetophenone;1-(5-Chloro-2-fluorophenyl)ethan-1-one;MFCD03094519;Ethanone, 1-(5-chloro-2-fluorophenyl)- (9CI);5-chloro-2-fluoroacetophenone;Ethanone, 1-(5-chloro-2-fluorophenyl)-;5'-chloro-2'-fluoroacetophene;SCHEMBL3621421;DTXSID50378569;GCAFAZLJICOINM-UHFFFAOYSA-N;AKOS005257528;AB91055;PS-8655;AC-29929;SY038015;CS-0043762;FT-0751519;EN300-195372;F17514;5 inverted exclamation mark -Chloro-2 inverted exclamation mark -fluoroacetophenone

Chemical Property of 1-(5-Chloro-2-fluorophenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.0491mmHg at 25°C
• Refractive Index: 1.5230 (589.3 nm 25℃)
• Boiling Point: 100-105℃ (8 Torr)
• Flash Point: 96.4°C
• PSA: 17.07000
• Density: 1.258g/cm³
• LogP: 2.68170
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.0091207
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

5'-Chloro-2'-fluoroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(5-Chloro-2-fluorophenyl)ethanone

There total 2 articles about 1-(5-Chloro-2-fluorophenyl)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: 70.0%

3'-Chloroacetophenone (99-02-5) → 1-(5-chloro-2-fluorophenyl)ethan-1-one (541508-27-4)

Guidance literature:

With palladium diacetate; silver nitrate; N-fluorobis(benzenesulfon)imide; methyl carbamate; In dichloromethane; at 95 ℃; for 24h; Sealed tube;

DOI:10.1039/d1cc01047f

Reference yield:

→ 1-(5-chloro-2-fluorophenyl)ethan-1-one (541508-27-4)

Guidance literature:

Entspr. Aromat. u. AcCl;

Reference yield:

1-(5-chloro-2-fluorophenyl)ethan-1-one (541508-27-4) + oxalic acid diethyl ester (95-92-1) → C12H10ClFO4

Guidance literature:

1-(5-chloro-2-fluorophenyl)ethan-1-one; With lithium hexamethyldisilazane; at 0 ℃; for 0.5h;

oxalic acid diethyl ester; at 20 ℃;

DOI:10.3390/molecules23082002

upstream raw materials:

3'-Chloroacetophenone