Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)-

Base Information

Chemical Name:Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)-
CAS No.:13907-61-4
Molecular Formula:C₁₃H₁₄Cl₂N₆O₆
Molecular Weight:421.197
Hs Code.:2924299090
NSC Number:84955
DSSTox Substance ID:DTXSID70160882
Nikkaji Number:J41.204J
Wikidata:Q83029215
Mol file:13907-61-4.mol

Synonyms:13907-61-4;BENZOIC ACID, 3,5-BIS(3-(2-CHLOROETHYL)-3-NITROSOUREIDO)-;NSC 84955;BRN 2925833;3,5-bis[[2-chloroethyl(nitroso)carbamoyl]amino]benzoic acid;3,5-Bis(3-(2-chloroethyl)-3-nitrosoureido)benzoic acid;1,1'-(5-Carboxy-m-phenylene)bis(3-(2-chloroethyl)-3-nitrosourea);Urea, 1,1'-(5-carboxy-m-phenylene)bis(3-(2-chloroethyl)-3-nitroso-;Benzoic acid, 3,5-bis[3-(2-chloroethyl)-3-nitrosoureido]-;3,5-Bis[3-(2-chloroethyl)-3-nitrosoureido]benzoic acid;NSC84955;C13H14Cl2N6O6;DTXSID70160882;RRTCCTJFLQKSPL-UHFFFAOYSA-N;C13-H14-Cl2-N6-O6;NSC-84955;LS-36173;Benzoic acid,5-bis[3-(2-chloroethyl)-3-nitrosoureido]-

Suppliers and Price of Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)-

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 Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)-

Chemical Property:

PSA：160.84000
Density:1.64g/cm³
LogP:3.03900
XLogP3:1.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:420.0351876
Heavy Atom Count:27
Complexity:527

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=C(C=C1NC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O)C(=O)O

Technology Process of Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)-

There total 2 articles about Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)- 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:

: 535-87-5
3.5-diaminobenzoic acid

: 13907-61-4
3,5-bis[3-(2-chloroethyl)-3-nitrosoureido]-benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: dimethylformamide

2: NaNO₂, HCO₂H

With formic acid; sodium nitrite; In N,N-dimethyl-formamide;
DOI:10.1021/jm00324a026