2,2,4,4,6,6-Hexaamino-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine

Base Information

• Chemical Name: 2,2,4,4,6,6-Hexaamino-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine
• CAS No.: 13597-92-7
• Molecular Formula: H12N9 P3
• Molecular Weight: 231.077
• European Community (EC) Number: 237-060-4
• NSC Number: 202892
• DSSTox Substance ID: DTXSID30929194
• Nikkaji Number: J277.942K
• Wikidata: Q82904033
• Mol file: 13597-92-7.mol

Synonyms:13597-92-7;2,2,4,4,6,6-Hexaamino-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine;EINECS 237-060-4;NSC 202892;AI3-52915;1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine;NSC202892;Hexaaminocyclotriphosphazene;DTXSID30929194;H12N9P3;1,3,5,2,4,6-Triazatriphosphorine-2,2,4,4,6,6-hexaamine;H12-N9-P3;NSC-202892;FT-0775210;1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexaamino-2,2,4,4,6,6-hexahydro-, monohydrate

Chemical Property of 2,2,4,4,6,6-Hexaamino-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine

Chemical Property:

• PKA: 0.01±0.50(Predicted)
• PSA: 222.63000
• Density: 3.83g/cm³
• LogP: 2.09940
• XLogP3: -3.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 0
• Exact Mass: 231.04285241
• Heavy Atom Count: 12
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: NP1(=NP(=NP(=N1)(N)N)(N)N)N

Technology Process of 2,2,4,4,6,6-Hexaamino-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine

There total 6 articles about 2,2,4,4,6,6-Hexaamino-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine 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: 36.0%

2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine (940-71-6,16422-79-0) + ammonia (7664-41-7) → hexaaminocyclotriphosphazene (13597-92-7) + ammonium chloride

Guidance literature:

In neat (no solvent); direct react. of (PNCl2)3 with a large excess of liquid NH3 under pressure; react. completed after 48 h;;

Reference yield:

2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine (940-71-6,16422-79-0) + ammonia (7664-41-7) → hexaaminocyclotriphosphazene (13597-92-7)

Guidance literature:

Reference yield:

hexakis(amino)cyclotriphosphazene hemiammoniate → hexaaminocyclotriphosphazene (13597-92-7)

Guidance literature:

With KNH₂; In ammonia; NH3 (liquid); High Pressure; react. of semi ammoniate and KNH2 (molar ratio 1:12), 130°C, 110 bar, 5d;

upstream raw materials:

phosphorus pentachloride

ammonia

2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine

Downstream raw materials:

ammonium dihydrogen phosphate

phosphoric acid

Refernces

• 1、 -. "Phosphazene compound, composite containing phosphazene compound, flame retardant containing composite and application". Paragraph 0364-0365; 0368; 0369. . Retrieved 2019/01/23.
• 2、 Allcock,Fuller,Matsumura. "Hydrolysis pathways for aminophosphazenes". . p. 515 - 521. Retrieved 2008/10/08.