5-Nitro-2,4,6-triaminopyrimidine

Base Information

• Chemical Name: 5-Nitro-2,4,6-triaminopyrimidine
• CAS No.: 24867-36-5
• Molecular Formula: C4H6N6O2
• Molecular Weight: 170.131
• Hs Code.: 29335990
• DSSTox Substance ID: DTXSID70389475
• Nikkaji Number: J732.678E
• Wikidata: Q82185297
• Mol file: 24867-36-5.mol

Synonyms:5-Nitro-2,4,6-triaminopyrimidine;24867-36-5;5-nitropyrimidine-2,4,6-triamine;2,4,6-TRIAMINO-5-NITROPYRIMIDINE;5-Nitro-2,4,6-pyrimidinetriamine;2-Hydroxyethyl-n-octylsulphide;SCHEMBL9640554;DTXSID70389475;2,4,6-Pyrimidinetriamine, 5-nitro-;AKOS000638943;SB57555;AC-11495;AC-26666;BS-50859;CS-0188258;FT-0646060;E76523;J-517868

Chemical Property of 5-Nitro-2,4,6-triaminopyrimidine

Chemical Property:

• Boiling Point: 616.9 °C at 760 mmHg
• Flash Point: 326.9 °C
• PSA: 149.66000
• Density: 1.799 g/cm³
• LogP: 1.39820
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 170.05522346
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

5-Nitro-2,4,6-triaminopyrimidine 95+% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Nitro-2,4,6-triaminopyrimidine

There total 1 articles about 5-Nitro-2,4,6-triaminopyrimidine 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: 94.0%

2,4,6-triaminopyrimidine (1004-38-2) → 5-nitropyrimidine-2,4,6-triamine (24867-36-5)

Guidance literature:

With nitric acid; In acetic anhydride; at 15 ℃; for 3h; Reagent/catalyst; Solvent; Temperature;

Reference yield: 57.0%

5-nitropyrimidine-2,4,6-triamine (24867-36-5) → [1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-diamine 1-oxide (16206-19-2)

Guidance literature:

With [bis(acetoxy)iodo]benzene; lithium hydride; In N,N-dimethyl-formamide; at 20 - 50 ℃;

DOI:10.1021/jo980732y

Reference yield:

5-nitropyrimidine-2,4,6-triamine (24867-36-5) → 2,4,5,6-tetraaminopyrimidine (1004-74-6)

Guidance literature:

With hydrogenchloride; tin(ll) chloride;

upstream raw materials:

2,4,6-triaminopyrimidine

Downstream raw materials:

2,4,5,6-tetraaminopyrimidine

[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-diamine 1-oxide

2,4,6-triamino-5-nitropyrimidine-1,3-dioxide

Refernces

• 1、 -. "Preparation method of energetic compound 2,4,6-triamino-5-nitropyrimidine-1,3-dioxide". Paragraph 0013-0051. . Retrieved 2018/06/15.