1-(2-Chloroethyl)-3-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]-2,3,5,6-tetramethylphenyl]-1-nitrosourea

Base Information

Chemical Name:1-(2-Chloroethyl)-3-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]-2,3,5,6-tetramethylphenyl]-1-nitrosourea
CAS No.:13907-60-3
Molecular Formula:C₁₆H₂₂Cl₂N₆O₄
Molecular Weight:433.294
Hs Code.:2924299090
NSC Number:93171
DSSTox Substance ID:DTXSID60930298
Nikkaji Number:J48.968I
Wikidata:Q82905579
Mol file:13907-60-3.mol

Synonyms:13907-60-3;1-(2-chloroethyl)-3-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]-2,3,5,6-tetramethylphenyl]-1-nitrosourea;1,1/'-(2,3,5,6-Tetramethyl-p-phenylene)bis[3-(2-chloroethyl)-3-nitrosourea];NSC93171;NSC 93171;BRN 2925556;DTXSID60930298;NSC-93171;1,1'-(2,3,5,6-Tetramethyl-p-phenylene)bis(3-(2-chloroethyl)-3-nitrosourea);Urea, 1,1'-(2,3,5,6-tetramethyl-p-phenylene)bis(3-(2-chloroethyl)-3-nitroso-;Urea, 1,1'-(2,3,5,6-tetramethyl-p-phenylene)bis[3-(2-chloroethyl)-3-nitroso]-;N',N''-(2,3,5,6-Tetramethyl-1,4-phenylene)bis[N-(2-chloroethyl)-N-nitrosourea];Urea,1'-(2,3,5,6-tetramethyl-p-phenylene)bis[3-(2-chloroethyl)-3-nitroso-

Suppliers and Price of 1-(2-Chloroethyl)-3-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]-2,3,5,6-tetramethylphenyl]-1-nitrosourea

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 1-(2-Chloroethyl)-3-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]-2,3,5,6-tetramethylphenyl]-1-nitrosourea

Chemical Property:

PSA：123.54000
LogP:4.57440
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:432.1079586
Heavy Atom Count:28
Complexity:505

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=C(C(=C1NC(=O)N(CCCl)N=O)C)C)NC(=O)N(CCCl)N=O)C

Technology Process of 1-(2-Chloroethyl)-3-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]-2,3,5,6-tetramethylphenyl]-1-nitrosourea

There total 2 articles about 1-(2-Chloroethyl)-3-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]-2,3,5,6-tetramethylphenyl]-1-nitrosourea 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:

: 13908-70-8
1-(2-Chloro-ethyl)-3-{4-[3-(2-chloro-ethyl)-ureido]-2,3,5,6-tetramethyl-phenyl}-urea

: 13907-60-3
1,1'-(2,3,5,6-tetramethyl-p-phenylene)bis[3-(2-chloroethyl)-3-nitroso-urea]

Guidance literature:: With formic acid; sodium nitrite;
DOI:10.1021/jm00324a026

Reference yield:

: 3102-87-2
tetramethyl-p-phenylenediamine

: 13907-60-3
1,1'-(2,3,5,6-tetramethyl-p-phenylene)bis[3-(2-chloroethyl)-3-nitroso-urea]

Guidance literature:: Multi-step reaction with 2 steps

1: CHCl₃

2: NaNO₂, HCO₂H

With formic acid; sodium nitrite; In chloroform;
DOI:10.1021/jm00324a026