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

Base Information

• Chemical Name: n-(3-Chloro-4-nitrophenyl)acetamide
• CAS No.: 712-33-4
• Molecular Formula: C8H7ClN2O3
• Molecular Weight: 214.608
• Hs Code.: 2916399090
• NSC Number: 39811
• DSSTox Substance ID: DTXSID10284915
• Nikkaji Number: J38.254J
• Wikidata: Q82020095
• Mol file: 712-33-4.mol

Synonyms:n-(3-chloro-4-nitrophenyl)acetamide;712-33-4;Acetamide, N-(3-chloro-4-nitrophenyl)-;N-{3-chloro-4-nitrophenyl}acetamide;NSC39811;Acetanilide, 3'-chloro-4'-nitro-;N-(3-chloro-4-nitro-phenyl)-acetamide;SCHEMBL358946;DTXSID10284915;N-acetyl-3-chloro-4-nitroaniline;2-chloro-4-acetylaminonitrobenzene;MFCD01463651;NSC-39811;AKOS009493273;CS-0236472;EN300-171110;AE-562/12222474

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

Chemical Property:

• Vapor Pressure: 1.53E-07mmHg at 25°C
• Melting Point: 145 °C(Solv: benzene (71-43-2))
• Refractive Index: 1.628
• Boiling Point: 428.3 °C at 760 mmHg
• PKA: 13.24±0.70(Predicted)
• Flash Point: 212.8 °C
• PSA: 74.92000
• Density: 1.466 g/cm³
• LogP: 2.80280
• XLogP3: 2.1
• 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:

99% ^*data from raw suppliers

N-(3-CHLORO-4-NITROPHENYL)ACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 10 articles about n-(3-Chloro-4-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: 88.0%

3-Chloroacetanilide (588-07-8) → 3-chloro-4-nitroacetanilide (712-33-4)

Guidance literature:

With benzyltriphenylphosphonium nitrate; Methanesulfonic anhydride; at 20 ℃; for 0.333333h;

DOI:10.1080/10426500490274655

Reference yield: 30.0%

3-Chloroacetanilide (588-07-8) → 3-chloro-4-nitroacetanilide (712-33-4) + N-(5-chloro-2-nitrophenyl)acetamide (5443-33-4)

Guidance literature:

With sulfuric acid; nitric acid; acetic acid; at 0 - 20 ℃; Inert atmosphere;

Reference yield:

3-Chloroacetanilide (588-07-8) → 3-chloro-4-nitroacetanilide (712-33-4) + N-(5-chloro-2-nitrophenyl)acetamide (5443-33-4) + N-(3-chloro-2-nitrophenyl)acetamide (99233-27-9)

Guidance literature:

With Nitrogen dioxide; ozone; In chloroform; for 3h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; < 0 deg C;

DOI:10.1016/0040-4039(91)80229-Y

upstream raw materials:

3-Chloroacetanilide

3-chloro-4-nitroaniline

acetyl chloride

acetic anhydride

Downstream raw materials:

3-chloro-4-nitroaniline

4-amino-3-chloronitroacetanilide

3-(1-piperidinyl)-4-nitroacetanilide

3-(2,4-difluorophenoxy)-4-nitroacetanilide