N,N-Bis(2-chloroethyl)-2,3-dimethoxyaniline

Base Information

• Chemical Name: N,N-Bis(2-chloroethyl)-2,3-dimethoxyaniline
• CAS No.: 4213-41-6
• Molecular Formula: C₁₂H₁₇Cl₂NO₂
• Molecular Weight: 278.178
• Hs Code.: 2922299090
• NSC Number: 18439
• UNII: KBX8M395BE
• DSSTox Substance ID: DTXSID90194967
• Nikkaji Number: J33.760I
• Wikidata: Q83067846
• Mol file: 4213-41-6.mol

Synonyms:2,3-Dimethoxyaniline mustard;NSC-18439;N,N-Bis(2-chloroethyl)-2,3-dimethoxyaniline;4213-41-6;Benzenamine, N,N-bis(2-chloroethyl)-2,3-dimethoxy-;SKI 24484;A 14494;ANILINE, N,N-BIS(2-CHLOROETHYL)-2,3-DIMETHOXY-;BRN 2976951;KBX8M395BE;C12H17Cl2NO2;N,3-dimethoxyaniline;UNII-KBX8M395BE;WLN: G2N2GR BO1 CO1;DTXSID90194967;C12-H17-Cl2-N-O2;NSC18439;LS-19592;Aniline,N-bis(2-chloroethyl)-2,3-dimethoxy-;A-14494;Benzenamine,N-bis(2-chloroethyl)-2,3-dimethoxy-;N,N-Bis(2-chloroethyl)-2,3-dimethoxybenzenamine

Chemical Property of N,N-Bis(2-chloroethyl)-2,3-dimethoxyaniline

Chemical Property:

• Vapor Pressure: 0.000136mmHg at 25°C
• Refractive Index: 1.6070 (estimate)
• Boiling Point: 333.5°C at 760 mmHg
• Flash Point: 155.5°C
• PSA: 21.70000
• Density: 1.203g/cm³
• LogP: 2.98780
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 277.0636342
• Heavy Atom Count: 17
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1OC)N(CCCl)CCCl

Technology Process of N,N-Bis(2-chloroethyl)-2,3-dimethoxyaniline

There total 1 articles about N,N-Bis(2-chloroethyl)-2,3-dimethoxyaniline 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:

→ Bis-(2-chloro-ethyl)-(2,3-dimethoxy-phenyl)-amine (4213-41-6)

Guidance literature:

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

DOI:10.1021/jm00297a071