Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)-

Base Information

Chemical Name:Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)-
CAS No.:64977-17-9
Molecular Formula:C11H15 Cl2 N S
Molecular Weight:264.219
Hs Code.:2930909090
DSSTox Substance ID:DTXSID80215296
Nikkaji Number:J271.544I
Wikidata:Q83091302
ChEMBL ID:CHEMBL273595

Synonyms:Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)-;64977-17-9;BRN 3283974;N,N-Bis(2-chloroethyl)-4-methylthioaniline;N,N-Bis(2-chloroethyl)-4-(methylthio)benzenamine;4-13-00-01314 (Beilstein Handbook Reference);CHEMBL273595;DTXSID80215296

Suppliers and Price of Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)-

Chemical Property:

Vapor Pressure:4.43E-06mmHg at 25°C
Boiling Point:383.3°C at 760 mmHg
PKA:4.05±0.50(Predicted)
Flash Point:185.6°C
PSA：28.54000
Density:1.22g/cm³
LogP:3.69250
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:263.0302260
Heavy Atom Count:15
Complexity:155

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC1=CC=C(C=C1)N(CCCl)CCCl

Technology Process of Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)-

There total 9 articles about Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)- 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: 93.0%

: 122567-51-5
p-(methylthio)-N,N-bis(2-hydroxyethyl)aniline

: 64977-17-9
N,N-bis-(2-chloroethyl)-4-(methylthio)aniline

Guidance literature:: With trichlorophosphate; at 100 ℃; for 0.5h;
DOI:10.1021/jm00163a019

Reference yield: 66.7%

: 73323-80-5
2-chloroethyl trifluoromethanesulfonate

: 104-96-1
4-methylsulfanylaniline

: 64977-17-9
N,N-bis-(2-chloroethyl)-4-(methylthio)aniline

Guidance literature:: With potassium carbonate; In dichloromethane; Heating;
DOI:10.1002/jlcr.1129

Reference yield:

: 553-27-5
aniline mustard

: 64977-17-9
N,N-bis-(2-chloroethyl)-4-(methylthio)aniline

Guidance literature:: Multi-step reaction with 3 steps

1: bromine; NaBr; methanol

2: LiAlH₄

With methanol; lithium aluminium tetrahydride; bromine; sodium bromide;