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Molecule
Hexachlorophosphazene
CAS: 940-71-6 · Cl6N3P3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 940-71-6
- Molecular Formula
- Cl6N3P3
- Molecular Mass
- 347.66 g/mol
Identifiers
CAS Registry Number
940-71-6
SMILES
ClP1(Cl)=NP(Cl)(Cl)=NP(Cl)(Cl)=N1
InChI Key
UBIJTWDKTYCPMQ-UHFFFAOYSA-N
InChI
InChI=1S/Cl6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10
Names and Synonyms
- Hexachlorophosphazene Common Name
- 2λ5,4λ5,6λ5-1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexachloro- Synonym
- 1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexachloro-2,2,4,4,6,6-hexahydro- Synonym
- Phosphonitrile chloride, trimer Synonym
- 2,2,4,4,6,6-Hexachloro-2λ5,4λ5,6λ5-1,3,5,2,4,6-triazatriphosphorine Synonym
- Hexachlorotriphosphonitrile Synonym
- Phosphonitrile chloride, cyclic trimer Synonym
- Hexachlorocyclophosphazatriene Synonym
- Triphosphonitrilic chloride Synonym
- Phosphonitrilic chloride cyclic trimer Synonym
- Cyclophosphonitrilic chloride trimer Synonym
- Phosphononitrilic chloride trimer Synonym
- Triphosphonitrile chloride Synonym
- Phosphonitrilic chloride trimer Synonym
- Hexachlorocyclotriphosphazatriene Synonym
- 2,2,4,4,6,6-Hexachloro-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine Synonym
- Cyclophosphazene dichloride trimer Synonym
- Hexachloro-1,3,5,2,4,6-triazatriphosphorine Synonym
- 2,2,4,4,6,6-Hexachlorocyclotriphosphazatriene Synonym
- Dichlorocyclotriphosphazene Synonym
- Hexachlorocyclotriphosphazene Synonym
- 2,2,4,4,6,6-Hexachlorocyclotriphosphazene Synonym
- Hexachlorocyclotriphosphatriazene Synonym
- Hexachlorotriphosphazene Synonym
- Phosnic 390 Synonym
- Dichlorophosphazene trimer Synonym
- NSC 209799 Synonym
- NSC 2667 Synonym
- Dichlorophosphazene cyclic trimer Synonym
- Tris(phosphonitriliic chloride) Synonym
- Tris(phosphonitrilic chloride) Synonym
- Samreal 87 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 347.66 g/mol | CAS Common Chemistry |
| 347.661 g/mol | RDKit | |
| 347.643 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 344.74362297 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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40
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 = 347.66 g/mol. Edit any field — others recompute live.
