5-[Bis-2(chloro-ethyl)-amino]-2,4-dintro-benzamide

Base Information

Chemical Name:5-[Bis-2(chloro-ethyl)-amino]-2,4-dintro-benzamide
CAS No.:142439-61-0
Molecular Formula:C11H12 Cl2 N4 O5
Molecular Weight:351.146
Hs Code.:
NSC Number:646392
UNII:EB8R4ME372
DSSTox Substance ID:DTXSID90162040
Nikkaji Number:J491.971H
Wikidata:Q27094157
Metabolomics Workbench ID:147759
ChEMBL ID:CHEMBL281812
Mol file:142439-61-0.mol

Synonyms:5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide;SN 23862;SN-23862

Suppliers and Price of 5-[Bis-2(chloro-ethyl)-amino]-2,4-dintro-benzamide

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 5 raw suppliers

Chemical Property of 5-[Bis-2(chloro-ethyl)-amino]-2,4-dintro-benzamide

Chemical Property:

Vapor Pressure:8.95E-10mmHg at 25°C
Boiling Point:490.7°Cat760mmHg
Flash Point:250.6°C
PSA：138.96000
Density:1.556g/cm³
LogP:3.81650
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:350.0184749
Heavy Atom Count:22
Complexity:422

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C(=CC(=C1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=O)N

Technology Process of 5-[Bis-2(chloro-ethyl)-amino]-2,4-dintro-benzamide

There total 2 articles about 5-[Bis-2(chloro-ethyl)-amino]-2,4-dintro-benzamide 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:

: 142439-58-5
5--2,4-dinitrobenzamide

: 142439-61-0
5-[N,N-bis(2-chloroethyl)amino]-2,4-dinitrobenzamide

Guidance literature:: With methanesulfonyl chloride; triethylamine; sodium chloride; Yield given. Multistep reaction; 1.) 1,2-dichloroethane, 0 deg, 2.) DMF, 160 deg;
DOI:10.1021/jm00095a018

Reference yield:

: 60532-50-5
5-chloro-2,4-dinitrobenzamide

: 142439-61-0
5-[N,N-bis(2-chloroethyl)amino]-2,4-dinitrobenzamide

Guidance literature:: Multi-step reaction with 2 steps

1: 45 percent / 4 h / 100 °C

2: 1.) MsCl, Et₃N, 2.) NaCl / 1.) 1,2-dichloroethane, 0 deg, 2.) DMF, 160 deg

With methanesulfonyl chloride; triethylamine; sodium chloride;
DOI:10.1021/jm00095a018