Guanidine, N-(2-chloroethyl)-N'-nitro-N-nitroso-

Base Information

• Chemical Name: Guanidine, N-(2-chloroethyl)-N'-nitro-N-nitroso-
• CAS No.: 33952-02-2
• Molecular Formula: C3H7ClN5O3+
• Molecular Weight: 195.5644
• NSC Number: 25959
• ChEMBL ID: CHEMBL353751
• Mol file: 33952-02-2.mol

Synonyms:NSC 25959;GUANIDINE, N-(2-CHLOROETHYL)-N'-NITRO-N-NITROSO-;Guanidine, 1-(2-chloroethyl)-3-nitro-1-nitroso-;BRN 1795792;33952-02-2;N-(2-Chloroethyl)-N'-nitro-N-nitrosoguanidine;N-(beta-Chloroethyl)-N-nitroso-N'-nitroguanidine;C3H6ClN5O3;C3-H6-Cl-N5-O3;CHEMBL353751;NSC25959;NSC-25959;LS-73352;N-(.beta.-Chloroethyl)-N-nitroso-N'-nitroguanidine

Chemical Property of Guanidine, N-(2-chloroethyl)-N'-nitro-N-nitroso-

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 337.689°C at 760 mmHg
• Flash Point: 158.029°C
• Density: 1.781g/cm³
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 195.0159168
• Heavy Atom Count: 12
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)N(C(=N[N+](=O)[O-])N)N=O
• Isomeric SMILES: C(CCl)N(/C(=N/[N+](=O)[O-])/N)N=O

Technology Process of Guanidine, N-(2-chloroethyl)-N'-nitro-N-nitroso-

There total 2 articles about Guanidine, N-(2-chloroethyl)-N'-nitro-N-nitroso- 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:

N-(2-chloro-ethyl)-N'-nitro-guanidine (6937-92-4) → N-(2-chloroethyl)-N'-nitro-N-nitrosoguanidine (33952-02-2)

Guidance literature:

With nitric acid; sodium nitrite;

DOI:10.1021/ja01160a052

Reference yield:

1,1-Dimethylen-3-nitroguanidin (39197-58-5) → N-(2-chloroethyl)-N'-nitro-N-nitrosoguanidine (33952-02-2)

Guidance literature:

Multistep reaction; (i) aq. HCl, (ii) NaNO₂, aq. HNO₃;

Reference yield:

N-(2-chloroethyl)-N'-nitro-N-nitrosoguanidine (33952-02-2) + aniline (62-53-3) → N-nitro-N'-phenyl-guanidine (5461-83-6)

Guidance literature:

DOI:10.1021/ja01160a052

upstream raw materials:

N-(2-chloro-ethyl)-N'-nitro-guanidine

1,1-Dimethylen-3-nitroguanidin

Downstream raw materials:

N-nitro-N'-phenyl-guanidine