N,N-Bis(2-chloroethyl)-4-methylaniline

Base Information

• Chemical Name: N,N-Bis(2-chloroethyl)-4-methylaniline
• CAS No.: 1204-68-8
• Molecular Formula: C11H15 Cl2 N
• Molecular Weight: 232.153
• Hs Code.: 2921430090
• NSC Number: 294980
• UNII: HRM9RB6H2U
• DSSTox Substance ID: DTXSID30152849
• Nikkaji Number: J271.545G
• Wikidata: Q83019621
• ChEMBL ID: CHEMBL278918
• Mol file: 1204-68-8.mol

Synonyms:N,N-Bis(2-chloroethyl)-4-methylaniline;1204-68-8;N,N-Bis(2-chloroethyl)-p-toluidine;p-Toluidine, N,N-bis(2-chloroethyl)-;p-N,N-Di(2-chloroethyl)toluidine;Benzenamine, N,N-bis(2-chloroethyl)-4-methyl-;CCRIS 2844;NSC 294980;BRN 2099441;N,N-Bis(2-chloroethyl)-4-methylbenzenamine;NSC-294980;3-12-00-02028 (Beilstein Handbook Reference);NSC294980;HRM9RB6H2U;CHEMBL278918;N(CCCl)(CCCl)c1ccc(C)cc1;SCHEMBL9889321;DTXSID30152849;p-Toluidine,N-bis(2-chloroethyl)-;N,N'-Bis(2-chloroethyl)-p-toluidine;LS-154316;Benzenamine,N-bis(2-chloroethyl)-4-methyl-;BIS(2-CHLOROETHYL)-P-TOLUIDINE, N,N-

Chemical Property of N,N-Bis(2-chloroethyl)-4-methylaniline

Chemical Property:

• Vapor Pressure: 0.00011mmHg at 25°C
• Boiling Point: 336.8°Cat760mmHg
• Flash Point: 157.5°C
• PSA: 3.24000
• Density: 1.163g/cm³
• LogP: 3.27900
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 231.0581549
• Heavy Atom Count: 14
• Complexity: 138

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N(CCCl)CCCl

Technology Process of N,N-Bis(2-chloroethyl)-4-methylaniline

There total 3 articles about N,N-Bis(2-chloroethyl)-4-methylaniline 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:

p-toluidine (106-49-0,12221-03-3) → N,N-Bis(2-chlorethyl)-p-toluidin (1204-68-8)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. acetic acid / 24 h / 20 °C

2: POCl₃ / 0.5 h / 100 °C

With trichlorophosphate; In acetic acid;

DOI:10.1021/jm00163a019

Reference yield:

N,N-bis-(2-hydroxyethyl)-P-toluidine (3077-12-1) → N,N-Bis(2-chlorethyl)-p-toluidin (1204-68-8)

Guidance literature:

With trichlorophosphate;

DOI:10.1039/jr9490000183

Reference yield:

→ N,N-Bis(2-chlorethyl)-p-toluidin (1204-68-8)

Guidance literature:

entspr. N-Oxid, A.;

upstream raw materials:

N,N-bis-(2-hydroxyethyl)-P-toluidine

p-toluidine

Downstream raw materials:

N-(4-methylphenyl)thiomorpholine

Refernces