CAS No.1184-10-7,Phenoxycycloposphazene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1184-10-7
Name:	Phenoxycycloposphazene
Article Data:	39

Formula:	C₃₆H₃₀N₃O₆P₃
Molecular Weight:	693.572
Synonyms:	1,3,5,2,4,6-Triazatriphosphorine,2,2,4,4,6,6-hexahydro-2,2,4,4,6,6-hexaphenoxy- (7CI,8CI,9CI);Phenylmetaphosphimate, trimer (6CI);2,2,4,4,6,6-Hexahydro-2,2,4,4,6,6-hexaphenoxytriazatriphosphorine;Diphenoxyphosphazene cyclic trimer;Hexaphenoxy-1,3,5,2,4,6-triazatriphosphorine;Hexaphenoxycyclotriphosphazatriene;Hexaphenoxycyclotriphosphazene;NSC 117810;Trimeric bis(phenoxy)phosphonitrile;Phenoxycycloposphazene(CAS:1184-10-7);Phenoxycycloposphazene;
EINECS:	208-127-2
Density:	1.31 g/cm³
Melting Point:	116℃
Boiling Point:	696.518°C at 760 mmHg
Flash Point:	375.041°C
PSA:	121.89000
LogP:	10.61940

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Specification

The 2l5,4l5,6l5-1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexaphenoxy-, with its CAS registry number 1184-10-7, has the IUPAC name of 2,2,4,4,6,6-hexaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene. And it has the molecular formula of C₃₆H₃₀N₃O₆P₃.

The characteristics of 2l5,4l5,6l5-1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexaphenoxy- are as follows: (1)#H bond acceptors: 9; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 12; (4)Polar Surface Area: 94.05 Å²; (5)Index of Refraction: 1.637; (6)Molar Refractivity: 188.69 cm³; (7)Molar Volume: 525.4 cm³; (8)Polarizability: 74.8×10^-24cm³; (9)Surface Tension: 58.2 dyne/cm; (10)Density: 1.31 g/cm³; (11)Exact Mass: 693.134745; (12)MonoIsotopic Mass: 693.134745; (13)Topological Polar Surface Area: 92.5; (14)Heavy Atom Count: 48; (15)Complexity: 912; (16)Covalently-Bonded Unit Count: 1.

The production method of this chemical is as below: Phenol could react to produce 2l5,4l5,6l5-1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexaphenoxy-, and it happens in the reagent of 50 percent NaH, (NPCl₂)₃ and the solvent of tetrahydrofuran and paraffin in the condition of heating for 48 hours.

What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)OP2(=NP(=NP(=N2)(OC3=CC=CC=C3)OC4=CC=CC=C4)(OC5=CC=CC=C5)
OC6=CC=CC=C6)OC7=CC=CC=C7
(2)InChI: InChI=1S/C36H30N3O6P3/c1-7-19-31(20-8-1)40-46(41-32-21-9-2-10-22-32)37-
47(42-33-23-11-3-12-24-33,43-34-25-13-4-14-26-34)39-48(38-46,44-35-27-15-5-16-28-35)45-36-29-17-6-18-30-36/h1-30H
(3)InChIKey: RNFJDJUURJAICM-UHFFFAOYSA-N