Bis(beta-chloroethyl)chloroamine hydrochloride

Base Information

• Chemical Name: Bis(beta-chloroethyl)chloroamine hydrochloride
• CAS No.: 67046-13-3
• Molecular Formula: C4H9Cl4N
• Molecular Weight: 185.31
• Mol file: 67046-13-3.mol

Synonyms:Bis(beta-chloroethyl)chloroamine hydrochloride;DIETHYLAMINE, N,2,2'-TRICHLORO-, HYDROCHLORIDE;67046-13-3

Chemical Property of Bis(beta-chloroethyl)chloroamine hydrochloride

Chemical Property:

• Vapor Pressure: 0.267mmHg at 25°C
• Boiling Point: 204.2°Cat760mmHg
• Flash Point: 77.3°C
• PSA: 3.24000
• Density: g/cm³
• LogP: 2.72180
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 213.953785
• Heavy Atom Count: 9
• Complexity: 30.5

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)[NH2+]CCCl.[Cl-].[Cl-]

Technology Process of Bis(beta-chloroethyl)chloroamine hydrochloride

There total 3 articles about Bis(beta-chloroethyl)chloroamine hydrochloride 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:

morpholine (110-91-8,99108-56-2) + 1-hexene (592-41-6,25067-06-5) + carbon monoxide (201230-82-2) → 4-heptylmorpholine (67046-13-3) + heptanal (111-71-7) + 2-methylhexanal (925-54-2) + 3-hexene (592-47-2) + 4-(2-methylhexyl)morpholine (927681-28-5) + 2-hexene (592-43-8)

Guidance literature:

With hydrogen; In methanol; toluene; at 100 ℃; for 4h; Concentration; Time; Temperature; Pressure; Autoclave;

DOI:10.1016/j.apcata.2012.12.021

Reference yield:

morpholine (110-91-8,99108-56-2) + 1-hexene (592-41-6,25067-06-5) + carbon monoxide (201230-82-2) → 4-heptylmorpholine (67046-13-3) + 4-(hept-1-en-1yl)morpholine (49845-26-3) + heptanal (111-71-7) + 2-methylhexanal (925-54-2) + 3-hexene (592-47-2) + 4-(2-methylhexyl)morpholine (927681-28-5) + 4-(2-methylhex-1-en-1-yl)morpholine (1424343-35-0) + 2-hexene (592-43-8)

Guidance literature:

With hydrogen; In methanol; toluene; at 100 ℃; for 12h; Concentration; Time; Temperature; Pressure; Autoclave;

DOI:10.1016/j.apcata.2012.12.021

Reference yield:

morpholine (110-91-8,99108-56-2) + 1-hexene (592-41-6,25067-06-5) + carbon monoxide (201230-82-2) → 4-heptylmorpholine (67046-13-3) + heptanal (111-71-7) + 2-methylhexanal (925-54-2) + 4-(2-methylhexyl)morpholine (927681-28-5)

Guidance literature:

With hydrogen; In methanol; toluene; at 100 ℃; for 12h; Concentration; Time; Temperature; Pressure; Autoclave;

DOI:10.1016/j.apcata.2012.12.021

upstream raw materials:

morpholine

1-hexene

carbon monoxide

Refernces