Tris(beta-chloroethyl)amine oxide

Base Information

• Chemical Name: Tris(beta-chloroethyl)amine oxide
• CAS No.: 63978-59-6
• Molecular Formula: C₆H₁₂Cl₃NO
• Molecular Weight: 220.526
• DSSTox Substance ID: DTXSID50981491
• Nikkaji Number: J3.144.774G
• Wikidata: Q82967812
• Mol file: 63978-59-6.mol

Synonyms:HN3 amine oxide;63978-59-6;Tris(beta-chloroethyl)amine oxide;BRN 1766573;Triethylamine, 2,2',2''-trichloro-, N-oxide;DTXSID50981491;2-Chloro-N,N-bis(2-chloroethyl)ethan-1-amine N-oxide

Chemical Property of Tris(beta-chloroethyl)amine oxide

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 218.998447
• Heavy Atom Count: 11
• Complexity: 84.8

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)[N+](CCCl)(CCCl)[O-]

Technology Process of Tris(beta-chloroethyl)amine oxide

There total 3 articles about Tris(beta-chloroethyl)amine oxide 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:

tris-(2-chloro-ethyl)-amine (555-77-1) → N-(2-Chloroethoxy)-2,2'-dichlorodiethylamine (89583-72-2) + tris-(2-chloro-ethyl)-amine oxide (63978-59-6)

Guidance literature:

With diethyl ether; water; dihydrogen peroxide; reagens 4: Acetanhydrid;

Reference yield:

tris-(2-chloro-ethyl)-amine (555-77-1) → tris-(2-chloro-ethyl)-amine oxide (63978-59-6)

Guidance literature:

With dihydrogen peroxide; acetic anhydride; benzene;

Reference yield:

tris-(2-chloroethyl)amine hydrochloride (817-09-4) → tris-(2-chloro-ethyl)-amine oxide (63978-59-6)

Guidance literature:

With peracetic acid; sodium hydrogencarbonate; at 25 ℃;

DOI:10.1080/10903120190940074

upstream raw materials:

tris-(2-chloro-ethyl)-amine

tris-(2-chloroethyl)amine hydrochloride

Refernces