4-Chloro-N,N-bis(2-chloroethyl)aniline

Base Information

• Chemical Name: 4-Chloro-N,N-bis(2-chloroethyl)aniline
• CAS No.: 6636-75-5
• Molecular Formula: C10H12Cl3N
• Molecular Weight: 252.568
• NSC Number: 18441
• UNII: VXG4VEX29T
• DSSTox Substance ID: DTXSID80216586
• Nikkaji Number: J672.061G
• ChEMBL ID: CHEMBL353508

Synonyms:4-Chloro-N,N-bis(2-chloroethyl)aniline;p-Chloro-N,N-bis(2-chloroethyl)aniline;6636-75-5;Benzenamine, 4-chloro-N,N-bis(2-chloroethyl)-;Aniline, p-chloro-N,N-bis(2-chloroethyl)-;VXG4VEX29T;NSC-18441;NSC 18441;BRN 2970592;NSC18441;UNII-VXG4VEX29T;3-12-00-01330 (Beilstein Handbook Reference);Aniline, p-chloro-N,N-bis(2-chloroethyl)- (8CI);CHEMBL353508;SCHEMBL8599765;DTXSID80216586;AXGDAIAIPBYYBL-UHFFFAOYSA-N;N,N-bis-(2-chloroethyl)-4-chloroaniline;Chloro-N,N-bis(2-chloroethyl)aniline, p-;4-Chloro-N,N-bis(2-chloroethyl)benzenamine

Chemical Property of 4-Chloro-N,N-bis(2-chloroethyl)aniline

Chemical Property:

• Vapor Pressure: 6.9E-05mmHg at 25°C
• Boiling Point: 343.7°Cat760mmHg
• Flash Point: 161.7°C
• Density: 1.294g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 251.003532
• Heavy Atom Count: 14
• Complexity: 140

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N(CCCl)CCCl)Cl

Technology Process of 4-Chloro-N,N-bis(2-chloroethyl)aniline

There total 3 articles about 4-Chloro-N,N-bis(2-chloroethyl)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:

N,N-bis(2-hydroxyethyl)-p-chloroaniline (13127-77-0) → 4-chloro-N,N-bis(2-chloroethyl)aniline (6636-75-5)

Guidance literature:

With chloroform; trichlorophosphate;

DOI:10.1039/jr9490000183

Reference yield:

4-chloro-aniline (106-47-8) → 4-chloro-N,N-bis(2-chloroethyl)aniline (6636-75-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 150 °C

2: chloroform; phosphorus (V)-chloride

With chloroform; phosphorus pentachloride;

DOI:10.1039/jr9490000183

Reference yield:

→ 4-chloro-N,N-bis(2-chloroethyl)aniline (6636-75-5)

Guidance literature:

entspr. subst. N,N-Bis-(2-hydroxy-ethyl)-anilin, POCl3;

DOI:10.1021/jm00297a071

upstream raw materials:

N,N-bis(2-hydroxyethyl)-p-chloroaniline

4-chloro-aniline

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