N-(4-Chlorophenyl)-2,4-dinitroaniline

Base Information

• Chemical Name: N-(4-Chlorophenyl)-2,4-dinitroaniline
• CAS No.: 1226-23-9
• Molecular Formula: C12H8ClN3O4
• Molecular Weight: 293.666
• Hs Code.: 2921440000
• European Community (EC) Number: 634-151-4
• DSSTox Substance ID: DTXSID50347816
• Nikkaji Number: J1.425.584B
• Wikidata: Q82122070
• Mol file: 1226-23-9.mol

Synonyms:N-(4-Chlorophenyl)-2,4-dinitroaniline;1226-23-9;4'-Chloro-2,4-dinitrodiphenylamine;Benzenamine, N-(4-chlorophenyl)-2,4-dinitro-;DTXSID50347816;MFCD00024393;STK049621;AKOS000286011;N-(4-Chlorophenyl)-2,4-dinitroaniline #;CS-0329250;AN-329/13210854

Chemical Property of N-(4-Chlorophenyl)-2,4-dinitroaniline

Chemical Property:

• PSA: 103.67000
• LogP: 5.01940
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 293.0203334
• Heavy Atom Count: 20
• Complexity: 363

Purity/Quality:

99% ^*data from raw suppliers

N-(4-Chlorophenyl)-2,4-dinitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl

Technology Process of N-(4-Chlorophenyl)-2,4-dinitroaniline

There total 7 articles about N-(4-Chlorophenyl)-2,4-dinitroaniline 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: 70.0%

2,4-Dinitrofluorobenzene (70-34-8,65727-75-5) + 4-chloro-aniline (106-47-8) → 2,4-dinitro-4'-chloro diphenylamine (1226-23-9)

Guidance literature:

at 25 ℃; for 2h;

DOI:10.1002/ejoc.201800785

Reference yield:

4-chloro-aniline (106-47-8) → 2,4-dinitro-4'-chloro diphenylamine (1226-23-9) + p-chloroaniline hydrochloride (20265-96-7)

Guidance literature:

With 1-chloro-2,4-dinitro-benzene; In 1,4-dioxane; water; at 45 ℃; for 0.5h;

Reference yield:

4-chloro-aniline (106-47-8) + 1-chloro-2,4-dinitro-benzene (97-00-7) → 2,4-dinitro-4'-chloro diphenylamine (1226-23-9) + p-chloroaniline hydrochloride (20265-96-7)

Guidance literature:

In 1,4-dioxane; water; at 45 ℃; for 0.5h; Kinetics; Thermodynamic data; Product distribution; other temperatures;

upstream raw materials:

4-chloro-aniline

1-chloro-2,4-dinitro-benzene

2,4-Dinitrofluorobenzene

meta-dinitrobenzene

Downstream raw materials:

(4-chloro-2-nitro-phenyl)-(2,4-dinitro-phenyl)-amine