N-(4-Chloro-3-nitrophenyl)acetamide

Base Information

• Chemical Name: N-(4-Chloro-3-nitrophenyl)acetamide
• CAS No.: 5540-60-3
• Molecular Formula: C8H7 Cl N2 O3
• Molecular Weight: 214.608
• Hs Code.: 2924299090
• European Community (EC) Number: 226-904-7
• DSSTox Substance ID: DTXSID50970749
• Nikkaji Number: J225.008J
• Mol file: 5540-60-3.mol

Synonyms:N-(4-Chloro-3-nitrophenyl)acetamide;5540-60-3;m-Nitro-p-chloro acetanilide;EINECS 226-904-7;4-Chloro-3-Nitroacetanilide;4'-chloro-3'-nitroacetanilide;SCHEMBL2337052;DTXSID50970749;STL481472;N-(3-Nitro-4-chlorophenyl)acetamide;AKOS002951614;N-(4-Chloro-3-nitrophenyl)ethanimidic acid;FT-0621693

Chemical Property of N-(4-Chloro-3-nitrophenyl)acetamide

Chemical Property:

• Vapor Pressure: 1.99E-18mmHg at 25°C
• Melting Point: 125-129 ºC
• Refractive Index: 1.778
• Boiling Point: 404.1°Cat760mmHg
• PKA: 13.33±0.70(Predicted)
• Flash Point: 198.2°C
• PSA: 88.91000
• Density: 1.466g/cm³
• LogP: 2.49950
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 214.0145198
• Heavy Atom Count: 14
• Complexity: 241

Purity/Quality:

98%min ^*data from raw suppliers

alpha-(4-Chloro-3-nitrophenyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Technology Process of N-(4-Chloro-3-nitrophenyl)acetamide

There total 10 articles about N-(4-Chloro-3-nitrophenyl)acetamide 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: 100.0%

4-Chloro-3-nitroaniline (635-22-3) → N-(4-chloro-3-nitrophenyl)acetamide (5540-60-3)

Guidance literature:

With acetic anhydride; In diethyl ether; 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran;

Reference yield: 95.0%

C8H7ClN2O3 → N-(4-chloro-3-nitrophenyl)acetamide (5540-60-3)

Guidance literature:

With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; In tetrahydrofuran; ethyl acetate; at 70 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.12.090

Reference yield: 95.0%

4-Chloro-3-nitroaniline (635-22-3) + acetic anhydride (108-24-7) → N-(4-chloro-3-nitrophenyl)acetamide (5540-60-3)

Guidance literature:

With nickel dichloride; at 20 ℃; for 0.166667h; Neat (no solvent);

DOI:10.1080/00397910902906529

upstream raw materials:

4-Chloro-3-nitroaniline

acetic anhydride

acetic acid

N-(4-chlorophenyl)acetamide

Downstream raw materials:

3'-amino-4'-mercaptoacetanilide

Refernces

• 1、 -. "AZO COMPOUND, INK COMPOSITION, RECORDING METHOD AND COLORED MATERIAL". Paragraph 0110; 0111. . Retrieved 2017/01/02.
• 2、 -. "AZO COMPOUND, INK COMPOSITION, RECORDING METHOD AND COLORED MATTER". Paragraph 0098-0099. . Retrieved 2017/04/28.