N-(3,4-dichlorophenyl)-4-nitrobenzamide

Base Information

• Chemical Name: N-(3,4-dichlorophenyl)-4-nitrobenzamide
• CAS No.: 10282-59-4
• Molecular Formula: C13H8 Cl2 N2 O3
• Molecular Weight: 311.124
• NSC Number: 204345
• DSSTox Substance ID: DTXSID60308478
• Wikidata: Q82056385
• ChEMBL ID: CHEMBL1222661
• Mol file: 10282-59-4.mol

Synonyms:N-(3,4-dichlorophenyl)-4-nitrobenzamide;10282-59-4;Benzamide,N-(3,4-dichlorophenyl)-4-nitro-;NSC 204345;NSC204345;Oprea1_188399;Oprea1_652897;CHEMBL1222661;DTXSID60308478;MFCD00427499;STK414084;AKOS000673159;NSC-204345;Z28128385

Chemical Property of N-(3,4-dichlorophenyl)-4-nitrobenzamide

Chemical Property:

• Vapor Pressure: 2.48E-06mmHg at 25°C
• Boiling Point: 391.3°Cat760mmHg
• Flash Point: 190.5°C
• Density: 1.524g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 309.9911975
• Heavy Atom Count: 20
• Complexity: 367

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

Technology Process of N-(3,4-dichlorophenyl)-4-nitrobenzamide

There total 3 articles about N-(3,4-dichlorophenyl)-4-nitrobenzamide 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: 67.74%

4-nitro-benzoyl chloride (122-04-3) + m,p-dichloroaniline (95-76-1) → N-(3,4-dichlorophenyl)-4-nitrobenzamide (10282-59-4)

Guidance literature:

With pyridine; Reflux;

DOI:10.1016/j.molstruc.2020.129413

Reference yield:

4-nitro-benzoic acid (62-23-7) → N-(3,4-dichlorophenyl)-4-nitrobenzamide (10282-59-4)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 7 h / Reflux

2: dichloromethane / 20 °C

With thionyl chloride; In dichloromethane;

DOI:10.1016/j.bioorg.2018.09.001

Reference yield:

→ N-(3,4-dichlorophenyl)-4-nitrobenzamide (10282-59-4)

Guidance literature:

entspr. Anilin, Benzoesaeureanhydrid;

upstream raw materials:

4-nitro-benzoyl chloride

m,p-dichloroaniline

4-nitro-benzoic acid

Downstream raw materials:

4-nitro-benzoic acid-(4,5-dichloro-2-nitro-anilide)