3,4-dichloro-N-[(4-chlorophenyl)methyl]aniline

Base Information

• Chemical Name: 3,4-dichloro-N-[(4-chlorophenyl)methyl]aniline
• CAS No.: 5441-80-5
• Molecular Formula: C₁₃H₁₀Cl₃N
• Molecular Weight: 286.588
• NSC Number: 20916
• DSSTox Substance ID: DTXSID80969545
• Wikidata: Q82952560

Synonyms:5441-80-5;3,4-dichloro-N-[(4-chlorophenyl)methyl]aniline;NSC20916;Oprea1_403678;DTXSID80969545;NSC-20916;AKOS002654990

Chemical Property of 3,4-dichloro-N-[(4-chlorophenyl)methyl]aniline

Chemical Property:

• Vapor Pressure: 3.39E-07mmHg at 25°C
• Boiling Point: 418°Cat760mmHg
• Flash Point: 206.6°C
• Density: 1.394g/cm³
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 284.987882
• Heavy Atom Count: 17
• Complexity: 229

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CNC2=CC(=C(C=C2)Cl)Cl)Cl

Technology Process of 3,4-dichloro-N-[(4-chlorophenyl)methyl]aniline

There total 2 articles about 3,4-dichloro-N-[(4-chlorophenyl)methyl]aniline 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:

1-Chloro-4-(chloromethyl)benzene (104-83-6) + m,p-dichloroaniline (95-76-1) → 3,4-dichloro-N-(4-chloro-benzyl)-aniline (5441-80-5)

Guidance literature:

DOI:10.1021/ja01562a053

Reference yield:

→ 3,4-dichloro-N-(4-chloro-benzyl)-aniline (5441-80-5)

Guidance literature:

3,4-Dichlor-anilin, 4-Chlor-benzylbromid, Lithiumamid, Toluol, Erhitzen;

Reference yield:

3,4-dichloro-N-(4-chloro-benzyl)-aniline (5441-80-5) + 4-n-propylbenzenesulfonyl chloride (146949-07-7) → N-(4-Chloro-benzyl)-N-(3,4-dichloro-phenyl)-4-propyl-benzenesulfonamide (86887-18-5)

Guidance literature:

With pyridine; 1.) RT, 2 h, 2.) 90 deg C, 30 min;

DOI:10.1021/jm00366a016

upstream raw materials:

1-Chloro-4-(chloromethyl)benzene

m,p-dichloroaniline

Downstream raw materials:

N-(4-Chloro-benzyl)-N-(3,4-dichloro-phenyl)-4-propyl-benzenesulfonamide

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