1-(3-Chloro-4-(trifluoromethoxy)phenyl)ethanone

Base Information

• Chemical Name: 1-(3-Chloro-4-(trifluoromethoxy)phenyl)ethanone
• CAS No.: 129604-27-9
• Molecular Formula: C9H6ClF3O2
• Molecular Weight: 238.594
• European Community (EC) Number: 834-180-4
• DSSTox Substance ID: DTXSID40564090
• Wikidata: Q72460067
• Mol file: 129604-27-9.mol

Synonyms:1-(3-Chloro-4-(trifluoromethoxy)phenyl)ethanone;129604-27-9;3-Chloro-4-(trifluoromethoxy)acetophenone;1-[3-chloro-4-(trifluoromethoxy)phenyl]ethanone;3'-Chloro-4'-(trifluoromethoxy)acetophenone;MFCD12545820;1-[3-CHLORO-4-(TRIFLUOROMETHOXY)PHENYL]ETHAN-1-ONE;SCHEMBL9526240;DTXSID40564090;AKOS016005346;AM61293;CS-W012834;DS-4094;SY034695;C3300;EN300-1938972;A888837;Ethanone, 1-[3-chloro-4-(trifluoromethoxy)phenyl]-;3 inverted exclamation mark -Chloro-4 inverted exclamation mark -(trifluoromethoxy)acetophenone

Chemical Property of 1-(3-Chloro-4-(trifluoromethoxy)phenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.0119mmHg at 25°C
• Melting Point: 98-99
• Refractive Index: 1.48
• Boiling Point: 261℃
• Flash Point: 107℃
• PSA: 26.30000
• Density: 1.376
• LogP: 3.44120
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 238.0008416
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Chloro-4-(Trifluoromethoxy)Phenyl)Ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1)OC(F)(F)F)Cl
• Uses: 3'-Chloro-4'-(trifluoromethoxy)acetophenone is used as an organic chemical synthesis intermediate.

Technology Process of 1-(3-Chloro-4-(trifluoromethoxy)phenyl)ethanone

There total 1 articles about 1-(3-Chloro-4-(trifluoromethoxy)phenyl)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: 44.0%

methyl magnesium iodide (917-64-6) + 3-chloro-4-(trifluoromethoxy)benzonitrile (129604-26-8) → 3-Chloro-4-trifluoromethoxy-acetophenone (129604-27-9)

Guidance literature:

Reference yield:

3-Chloro-4-trifluoromethoxy-acetophenone (129604-27-9) → C9H5BrClF3O2

Guidance literature:

With bromine; In diethyl ether; at 20 ℃; for 2h;

Reference yield:

3-Chloro-4-trifluoromethoxy-acetophenone (129604-27-9) → C10H5ClF3NO2S

Guidance literature:

Multi-step reaction with 2 steps

1: bromine / diethyl ether / 2 h / 20 °C

2: ethanol / 1 h / 20 °C

With bromine; In diethyl ether; ethanol;

upstream raw materials:

methyl magnesium iodide

3-chloro-4-(trifluoromethoxy)benzonitrile

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