Butylamine, N,N-bis(2-chloroethyl)-

Base Information

• Chemical Name: Butylamine, N,N-bis(2-chloroethyl)-
• CAS No.: 42520-97-8
• Molecular Formula: C8H17Cl2N
• Molecular Weight: 198.16
• DSSTox Substance ID: DTXSID00195309
• Nikkaji Number: J72.913B
• Wikidata: Q83068197
• Mol file: 42520-97-8.mol

Synonyms:42520-97-8;TL 513;Butylamine, N,N-bis(2-chloroethyl)-;N,N-Bis(2-chloroethyl)butylamine;DIETHYLAMINE, 2,2'-DICHLORO-N-BUTYL-;Diethylamine, N-butyl-2,2'-dichloro-;BRN 1739819;1-Butanamine, N,N-bis(2-chloroethyl)-;AI3-16208;butyl-bis-(2-chloro-ethyl)-amine;N-butylbis(2-chloroethyl)amine;SCHEMBL6567130;Butyl-bis-(2-chlor-athyl)-amin;butyl-bis-(2-chloro-ethyl)amine;butyl-bis-(2-choro-ethyl)-amine;DTXSID00195309;TL-513;N,N-bis(2-chloroethyl)-n-butylamine;LS-61846

Chemical Property of Butylamine, N,N-bis(2-chloroethyl)-

Chemical Property:

• Vapor Pressure: 0.824mmHg at 25°C
• Refractive Index: 1.6100 (estimate)
• Boiling Point: 182.1°C at 760 mmHg
• Flash Point: 63.9°C
• PSA: 3.24000
• Density: 1.039g/cm³
• LogP: 2.56610
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 197.0738049
• Heavy Atom Count: 11
• Complexity: 72.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN(CCCl)CCCl

Technology Process of Butylamine, N,N-bis(2-chloroethyl)-

There total 4 articles about Butylamine, N,N-bis(2-chloroethyl)- 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: 99.0%

n-butyldiethanolamine (102-79-4) → butyl-bis-(2-chloro-ethyl)-amine (42520-97-8)

Guidance literature:

Reference yield:

n-butyl-bis(2-chloroethyl)amine hydrochloride (55112-89-5) → butyl-bis-(2-chloro-ethyl)-amine (42520-97-8)

Guidance literature:

With thionyl chloride; toluene;

DOI:10.1021/jo01149a032

Reference yield:

1-bromo-butane (109-65-9) + bis-(2-chloroethyl)amine hydrochloride (821-48-7) → butyl-bis-(2-chloro-ethyl)-amine (42520-97-8)

Guidance literature:

bis-(2-chloroethyl)amine hydrochloride; With potassium carbonate; In acetone; for 0.5h; Reflux;

1-bromo-butane; In acetone; for 12h; Reflux;

DOI:10.1002/bio.1215

upstream raw materials:

n-butyldiethanolamine

n-butyl-bis(2-chloroethyl)amine hydrochloride

1-bromo-butane

bis-(2-chloroethyl)amine hydrochloride

Downstream raw materials:

butyl-bis-(2-chloro-ethyl)-amine oxide

1-butyl-4-phenyl-piperidine-4-carbonitrile

1-butyl-4-(4-methoxy-benzenesulfonyl)-piperidine-4-carboxylic acid ethyl ester

butyl-N,N-bis[((2'-benzylaminoformyl)phenoxyl)ethyl]amine