2-Chloro-1-(2,4,5-trifluorophenyl)ethanone

Base Information

• Chemical Name: 2-Chloro-1-(2,4,5-trifluorophenyl)ethanone
• CAS No.: 129604-31-5
• Molecular Formula: C8H4 Cl F3 O
• Molecular Weight: 208.567
• DSSTox Substance ID: DTXSID60564092
• Wikidata: Q82448677
• Mol file: 129604-31-5.mol

Synonyms:129604-31-5;2-chloro-1-(2,4,5-trifluorophenyl)ethanone;Ethanone, 2-chloro-1-(2,4,5-trifluorophenyl)- (9CI);2-Chloro-1-(2,4,5-trifluorophenyl)ethan-1-one;SCHEMBL2795538;DTXSID60564092;2,4,5-trifluorophenacyl chloride;YEQFFYDYVFAIDX-UHFFFAOYSA-N;2,4,5- trifluoro-phenacyl chloride;2',4',5'-Trifluorophenacyl chloride;EN300-1964477;Z1269171000

Chemical Property of 2-Chloro-1-(2,4,5-trifluorophenyl)ethanone

Chemical Property:

• PSA: 17.07000
• LogP: 2.52540
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 207.9902769
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)F)F)C(=O)CCl

Technology Process of 2-Chloro-1-(2,4,5-trifluorophenyl)ethanone

There total 3 articles about 2-Chloro-1-(2,4,5-trifluorophenyl)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: 95.0%

1,2,4-trifluorobenzene (367-23-7) + chloroacetyl chloride (79-04-9) → 2,4,5-trifluoro-α-chloroacetophenone (129604-31-5)

Guidance literature:

With aluminium trichloride;

Reference yield: 54.0%

2',4',5'-trifluoroacetophenone (129322-83-4) → 2,4,5-trifluoro-α-chloroacetophenone (129604-31-5)

Guidance literature:

With N-chloro-succinimide; In acetic acid; at 116 ℃; for 5h;

Reference yield:

→ 2',4',5'-trifluoroacetophenone (129322-83-4) + 2,4,5-trifluoro-α-chloroacetophenone (129604-31-5)

Guidance literature:

upstream raw materials:

1,2,4-trifluorobenzene

chloroacetyl chloride

2',4',5'-trifluoroacetophenone

Downstream raw materials:

2,4,5-trifluorobenzoic acid

1-chloro-2-(2,4,5-trifluorophenyl)-3-(4-fluorophenyl)propan-2-ol

(2,4,5-trifluorophenyl)acetic acid