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Molecule
Hexaphenoxycyclotriphosphazene
CAS: 1184-10-7 · C36H30N3O6P3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1184-10-7
- Molecular Formula
- C36H30N3O6P3
- Molecular Mass
- 693.57 g/mol
Identifiers
CAS Registry Number
1184-10-7
SMILES
c1ccc(OP2(Oc3ccccc3)=NP(Oc3ccccc3)(Oc3ccccc3)=NP(Oc3ccccc3)(Oc3ccccc3)=N2)cc1
InChI Key
RNFJDJUURJAICM-UHFFFAOYSA-N
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
Names and Synonyms
- Hexaphenoxycyclotriphosphazene Synonym
- 2λ5,4λ5,6λ5-1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexaphenoxy- Synonym
- 1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-2,2,4,4,6,6-hexaphenoxy- Synonym
- Phenyl metaphosphimate, trimer Synonym
- 2,2,4,4,6,6-Hexaphenoxy-2λ5,4λ5,6λ5-1,3,5,2,4,6-triazatriphosphorine Synonym
- Trimeric bis(phenoxy)phosphonitrile Synonym
- 2,2,4,4,6,6-Hexahydro-2,2,4,4,6,6-hexaphenoxytriazatriphosphorine Synonym
- Hexaphenoxycyclotriphosphazene Synonym
- Hexaphenoxy-1,3,5,2,4,6-triazatriphosphorine Synonym
- Hexaphenoxycyclotriphosphazatriene Synonym
- NSC 117810 Synonym
- Diphenoxyphosphazene cyclic trimer Synonym
- PZ 100 Synonym
- HT 231 Synonym
- 2,2,4,4,6,6-Hexaphenoxy-2λ*5*,4λ*5*,6λ*5*-[1,3,5,2,4,6]triazatriphosphinine Synonym
- Rabitle FP 110 Synonym
- FP 110 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 693.57 g/mol | CAS Common Chemistry |
| 693.5730000000002 g/mol | RDKit | |
| 693.573 g/mol | RDKit | |
| Canonical SMILES | N=1P(=NP(=NP1(OC=2C=CC=CC2)OC=3C=CC=CC3)(OC=4C=CC=CC4)OC=5C=CC=CC5)(OC=6C=CC=CC6)OC=7C=CC=CC7 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=RNFJDJUURJAICM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 110-111 °C | CAS Common Chemistry |
| Name | Hexaphenoxycyclotriphosphazene | CAS Common Chemistry |
| Heavy Atom Count | 48 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 92.46000000000001 Ų | RDKit |
| 92.46 Ų | RDKit | |
| LogP | 12.31259999999998 | RDKit |
| 12.3126 | RDKit | |
| Molar Refractivity | 190.46399999999952 cm³/mol | RDKit |
| Ring Count | 7 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 693.13474557 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 693.57 g/mol. Edit any field — others recompute live.
