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Hexachlorophosphazene
CAS: 940-71-6 | Cl6N3P3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
940-71-6
Molecular Formula:
Cl6N3P3
Molecular Mass:
347.66 g/mol
Names and Synonyms:
Hexachlorophosphazene
2λ5,4λ5,6λ5-1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexachloro-
1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexachloro-2,2,4,4,6,6-hexahydro-
Phosphonitrile chloride, trimer
2,2,4,4,6,6-Hexachloro-2λ5,4λ5,6λ5-1,3,5,2,4,6-triazatriphosphorine
Hexachlorotriphosphonitrile
Phosphonitrile chloride, cyclic trimer
Hexachlorocyclophosphazatriene
Triphosphonitrilic chloride
Phosphonitrilic chloride cyclic trimer
Cyclophosphonitrilic chloride trimer
Phosphononitrilic chloride trimer
Triphosphonitrile chloride
Phosphonitrilic chloride trimer
Hexachlorocyclotriphosphazatriene
2,2,4,4,6,6-Hexachloro-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine
Cyclophosphazene dichloride trimer
Hexachloro-1,3,5,2,4,6-triazatriphosphorine
2,2,4,4,6,6-Hexachlorocyclotriphosphazatriene
Dichlorocyclotriphosphazene
Hexachlorocyclotriphosphazene
2,2,4,4,6,6-Hexachlorocyclotriphosphazene
Hexachlorocyclotriphosphatriazene
Hexachlorotriphosphazene
Phosnic 390
Dichlorophosphazene trimer
NSC 209799
NSC 2667
Dichlorophosphazene cyclic trimer
Tris(phosphonitriliic chloride)
Tris(phosphonitrilic chloride)
Samreal 87
Identifiers:
SMILES:
ClP1(Cl)=NP(Cl)(Cl)=NP(Cl)(Cl)=N1
InChI:
InChI=1S/Cl6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10
Key Properties
Boiling Point
257 °C
CAS Common Chemistry
Melting Point
114 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 347.66 g/mol | CAS Common Chemistry |
| 347.661 g/mol | RDKit | |
| 344.74362297 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hexachlorophosphazene | CAS Common Chemistry |
| Boiling Point | 257 °C | CAS Common Chemistry |
| Canonical SMILES | ClP=1(Cl)N=P(Cl)(Cl)N=P(Cl)(Cl)N1 | CAS Common Chemistry |
| InChI | InChI=1S/Cl6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10 | CAS Common Chemistry |
| InChI Key | InChIKey=UBIJTWDKTYCPMQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 114 °C | CAS Common Chemistry |
| Name | Hexachlorocyclotriphosphazene | CAS Common Chemistry |
| Hexachlorophosphazene | CAS Common Chemistry | |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.08 Ų | RDKit |
| LogP | 7.2714 | RDKit |
| Molar Refractivity | 63.162 | RDKit |
