N,N-bis(2-chloroethyl)-3-methylaniline

Base Information

• Chemical Name: N,N-bis(2-chloroethyl)-3-methylaniline
• CAS No.: 1204-57-5
• Molecular Formula: C₁₁H₁₅Cl₂N
• Molecular Weight: 232.153
• NSC Number: 18442
• DSSTox Substance ID: DTXSID10152847
• Nikkaji Number: J148.272F
• Wikidata: Q83019620
• ChEMBL ID: CHEMBL19462
• Mol file: 1204-57-5.mol

Synonyms:N,N-bis(2-chloroethyl)-3-methylaniline;1204-57-5;N,N-Bis(2-chloroethyl)-m-toluidine;Benzenamine, N,N-bis(2-chloroethyl)-3-methyl-;Benzenamine, N,N-bis(2-chloroethyl)-3-methyl- (9CI);BRN 3031686;NSC18442;m-Toluidine, N,N-bis(2-chloroethyl)-;3-12-00-01954 (Beilstein Handbook Reference);CHEMBL19462;SCHEMBL10993752;DTXSID10152847;Toluidine,N'-bis(2-chloroethyl)-;NSC 18442;NSC-18442;STL196682;AKOS016007270;SB81166;Benzenamine,N'-bis(2-chloroethyl)-3-methyl;N,N-Bis(2-chloroethyl)-3-methyl-benzenamine

Chemical Property of N,N-bis(2-chloroethyl)-3-methylaniline

Chemical Property:

• Vapor Pressure: 0.000169mmHg at 25°C
• Boiling Point: 330.2°Cat760mmHg
• Flash Point: 153.5°C
• Density: 1.163g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 231.0581549
• Heavy Atom Count: 14
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N,N-bis(2-chloroethyl)-3-methylaniline

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

1-amino-3-methylbenzene (108-44-1) → N,N-bis-(2-chloro-ethyl)-m-toluidine (1204-57-5)

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-dihydroxyethyl-m-toluidine (91-99-6) → N,N-bis-(2-chloro-ethyl)-m-toluidine (1204-57-5)

Guidance literature:

With trichlorophosphate;

DOI:10.1039/jr9490000183

Reference yield:

→ N,N-bis-(2-chloro-ethyl)-m-toluidine (1204-57-5)

Guidance literature:

N,N-Bis-<2-hydroxy-aethyl>-m-toluidin, POCl3;

upstream raw materials:

N,N-dihydroxyethyl-m-toluidine

1-amino-3-methylbenzene

Downstream raw materials:

N-{4-[bis-(2-chloro-ethyl)-amino]-2-methyl-phenyl}-N'-phenyl-urea

N⁴,N⁴-bis-(2-chloro-ethyl)-2-methyl-p-phenylenediamine

2-Methyl-4-(bis-(2-chlorethyl)amino)-azobenzol-4'-carbonsaeure

N,N-bis(2-chloroethyl)-3-methyl-4-nitrosamine

Refernces