Acetanilide, 4'-chloro-2-fluoro-

Base Information

• Chemical Name: Acetanilide, 4'-chloro-2-fluoro-
• CAS No.: 404-41-1
• Molecular Formula: C8H7ClFNO
• Molecular Weight: 187.5987
• DSSTox Substance ID: DTXSID00193401
• Nikkaji Number: J54.146J
• Mol file: 404-41-1.mol

Synonyms:N-(4-chlorophenyl)-2-fluoroacetamide;404-41-1;p-Chlorofluoroacetanilide;ACETANILIDE, 4'-CHLORO-2-FLUORO-;4'-Chloro-2-fluoroacetanilide;BRN 2803933;SCHEMBL8876305;DTXSID00193401

Chemical Property of Acetanilide, 4'-chloro-2-fluoro-

Chemical Property:

• Vapor Pressure: 5.8E-05mmHg at 25°C
• Boiling Point: 346.3°Cat760mmHg
• Flash Point: 163.2°C
• PSA: 29.10000
• Density: 1.34g/cm³
• LogP: 2.32100
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 187.0200197
• Heavy Atom Count: 12
• Complexity: 157

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=O)CF)Cl

Technology Process of Acetanilide, 4'-chloro-2-fluoro-

There total 5 articles about Acetanilide, 4'-chloro-2-fluoro- 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: 98.0%

1-Chloro-4-iodobenzene (637-87-6) + fluoroacetamide (640-19-7) → 4'-chloro-2-fluoroacetanilide (404-41-1)

Guidance literature:

With copper(l) iodide; cesium fluoride; N,N`-dimethylethylenediamine; In tetrahydrofuran; at 25 ℃; for 18 - 24h; Inert atmosphere;

DOI:10.1016/j.tetlet.2009.10.041

Reference yield:

N-(2-fluorophenyl)acetamide (399-31-5) → 4'-chloro-2'-fluoroacetanilide (59280-70-5) + 4'-chloro-2-fluoroacetanilide (404-41-1)

Guidance literature:

With chlorine; In acetic acid;

Reference yield:

2-chloro-N-(4-chlorophenyl)acetamide (3289-75-6) → 4'-chloro-2-fluoroacetanilide (404-41-1)

Guidance literature:

With potassium fluoride; diethylene glycol;

DOI:10.1039/j39670000319

upstream raw materials:

Fluoroacetic acid

4-chloro-aniline

2-chloro-N-(4-chlorophenyl)acetamide

N-(2-fluorophenyl)acetamide

Refernces

• 1、 -. "Herbicidal 2-arylaminocarbonyl-1-cyclohexene-1-carboxylic acids and salts thereof". . . Retrieved 2008/06/13.
• 2、 -. "Herbicidal 2-(substituted aryl)-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1,3(2H)-diones". . . Retrieved 2008/06/13.