Azetidine, 3,3-dinitro-1-nitroso-

Base Information

• Chemical Name: Azetidine, 3,3-dinitro-1-nitroso-
• CAS No.: 191017-87-5
• Molecular Formula: C3H4N4O5
• DSSTox Substance ID: DTXSID50443004
• Nikkaji Number: J1.018.006F
• Wikidata: Q82260665
• Mol file: 191017-87-5.mol

Synonyms:Azetidine, 3,3-dinitro-1-nitroso-;1-Nitroso-3,3-dinitroazetidine;191017-87-5;DTXSID50443004

Chemical Property of Azetidine, 3,3-dinitro-1-nitroso-

Chemical Property:

• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 176.01816924
• Heavy Atom Count: 12
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CN1N=O)([N+](=O)[O-])[N+](=O)[O-]

Technology Process of Azetidine, 3,3-dinitro-1-nitroso-

There total 3 articles about Azetidine, 3,3-dinitro-1-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:

3,3′-dinitroazetidine hydrochloride → 3,5-dinitropyridine (940-06-7) + 3,3-dinitro-propan-1-ol (10229-08-0) + 1,3,3-trinitroazetidine (97645-24-4) + 1-Formyl-3,3-dinitroazetidine + 1-nitroso-3,3-dinitroazetidine (191017-87-5) + 3,5-Dinitro-isonicotinic acid

Guidance literature:

In water; at 240 ℃; Kinetics; Thermodynamic data; various temp., solvents and time; E_a, A;

DOI:10.1021/jp9700950

Reference yield:

3,3-Dinitro-azetidine; compound with nitric acid → 3,5-dinitropyridine (940-06-7) + 1,3,3-trinitroazetidine (97645-24-4) + 3-nitro-1-nitrosoazetidine (166661-43-4) + 1-Methoxy-3-nitro-azetidine + 1-Formyl-3,3-dinitroazetidine + 1-nitroso-3,3-dinitroazetidine (191017-87-5)

Guidance literature:

In water; at 240 ℃; Kinetics; Thermodynamic data; various temp., solvents and time; E_a, A;

DOI:10.1021/jp9700950

Reference yield:

3,3-Dinitro-azetidine; compound with GENERIC INORGANIC NEUTRAL COMPONENT → 3,5-dinitropyridine (940-06-7) + 3,3-dinitro-propan-1-ol (10229-08-0) + 1,3,3-trinitroazetidine (97645-24-4) + 3-nitro-1-nitrosoazetidine (166661-43-4) + 1-Formyl-3,3-dinitroazetidine + 1-nitroso-3,3-dinitroazetidine (191017-87-5)

Guidance literature:

In water; at 240 ℃; Kinetics; Thermodynamic data; various temp., solvents and time; E_a, A;

DOI:10.1021/jp9700950