2,2,4,4,6,6,8,8-Octabromo-2,2,4,4,6,6,8,8-octahydro-1,3,5,7,2,4,6,8-tetraazatetraphosphocine

Base Information

• Chemical Name: 2,2,4,4,6,6,8,8-Octabromo-2,2,4,4,6,6,8,8-octahydro-1,3,5,7,2,4,6,8-tetraazatetraphosphocine
• CAS No.: 14621-11-5
• Molecular Formula: Br8N4 P4
• Molecular Weight: 819.154
• European Community (EC) Number: 238-661-4
• DSSTox Substance ID: DTXSID60163327
• Nikkaji Number: J132.767D
• Wikidata: Q83032223
• Mol file: 14621-11-5.mol

Synonyms:Octabromocyclotetraphosphazene;14621-11-5;2,2,4,4,6,6,8,8-Octabromo-2,2,4,4,6,6,8,8-octahydro-1,3,5,7,2,4,6,8-tetraazatetraphosphocine;EINECS 238-661-4;2,2,4,4,6,6,8,8-octabromo-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene;1,3,5,7,2,4,6,8-Tetrazatetraphosphocine, 2,2,4,4,6,6,8,8-octabromo-2,2,4,4,6,6,8,8-octahydro-;Br8N4P4;Br8-N4-P4;N4 P4 Br8;DTXSID60163327;Cyclo-tetrakis(dibromophosphonitrile)

Chemical Property of 2,2,4,4,6,6,8,8-Octabromo-2,2,4,4,6,6,8,8-octahydro-1,3,5,7,2,4,6,8-tetraazatetraphosphocine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 88.68000
• Density: 3.98g/cm³
• LogP: 8.68640
• XLogP3: 8.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 819.24585
• Heavy Atom Count: 16
• Complexity: 356

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: N1=P(N=P(N=P(N=P1(Br)Br)(Br)Br)(Br)Br)(Br)Br

Technology Process of 2,2,4,4,6,6,8,8-Octabromo-2,2,4,4,6,6,8,8-octahydro-1,3,5,7,2,4,6,8-tetraazatetraphosphocine

There total 4 articles about 2,2,4,4,6,6,8,8-Octabromo-2,2,4,4,6,6,8,8-octahydro-1,3,5,7,2,4,6,8-tetraazatetraphosphocine 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: 50.0%

ammonium bromide + bromine (7726-95-6) + phosphorus tribromide (7789-60-8) → hexabromocyclotriphosphazene (13701-85-4) + (NPBr2)4 (14621-11-5)

Guidance literature:

In further solvent(s); addn. of 350 g Br2 to a mixt. of 300 g PBr2 and 250 g NH4Br in 450 ml (CHCl2)2 at 110-120 °C; heating at 145-155 °C for 2-3 days; colling; removal of remained NH4Br;; removal of the solvent at 35-40 °C and 2 Torr; removal of the oily compound of the crude product; sublimation at 130-160 °C and 0.05-0.5 Torr forming a mixt. of with more (NPBr2)3 than (NPBr2)4; fractional distn., chromatography (Al2O3);;

DOI:10.1021/ja01495a069

Reference yield:

ammonium bromide + phosphorus pentabromide (7789-69-7) → hexabromocyclotriphosphazene (13701-85-4) + (NPBr2)4 (14621-11-5) + bromine (7726-95-6)

Guidance literature:

In further solvent(s); react. of PBr5 with NH4Br in (CHCl2)2 under addn. of consumed NH4Br;; distg. off the solvent; recrystn. of the crystal mass from C6H6; formation of a mixt. of (NPBr2)3 and (NPBr2)4; isolation on sampling the crystals of each compound;;

Reference yield:

P2NBr7 → hexabromocyclotriphosphazene (13701-85-4) + (NPBr2)4 (14621-11-5)

Guidance literature:

In further solvent(s); polymerization on heating in (CHCl2)2;;

DOI:10.1021/ja01495a069

upstream raw materials:

bromine

phosphorus tribromide

phosphorus pentabromide