Hexachlorophosphazene

Hexachlorophosphazene
Names
	IUPAC name 2,2,4,4,6,6-Hexachloro-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinine
	Other names Phosphonitrilic chloride trimer; Hexachlorotriphosphazene; Hexachlorocyclotriphosphazene; Triphosphonitrilic chloride; 2,2,4,4,6,6-hexachloro-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine;
Identifiers
CAS Number	940-71-6 ;
3D model (JSmol)	Interactive image;
ChEMBL	ChEMBL2022081 ;
ChemSpider	190959 ;
ECHA InfoCard	100.012.160
EC Number	213-376-8;
PubChem CID	220225;
UNII	7VR28MTM9D ;
CompTox Dashboard (EPA)	DTXSID4061331 ;
	InChI InChI=1S/Cl6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10 Key: UBIJTWDKTYCPMQ-UHFFFAOYSA-N ; InChI=1/Cl6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10 Key: UBIJTWDKTYCPMQ-UHFFFAOYAJ;
	SMILES N1=P(N=P(N=P1(Cl)Cl)(Cl)Cl)(Cl)Cl;
Properties
Chemical formula	P3N3Cl6
Molar mass	347.64 g·mol−1
Appearance	colourless solid
Density	1.98 g/mL at 25 °C
Melting point	112 to 114 °C (234 to 237 °F; 385 to 387 K)
Boiling point	decomposes (above 167 °C)
Sublimation; conditions	60 °C at 0.05 Torr
Solubility in water	decomposes
Solubility in CCl4	24.5 wt % (20 °C); 35.6 wt % (40 °C); 39.2 wt % (60 °C);
Solubility in cyclohexane	22.3 wt % (20 °C); 36.8 wt % (40 °C); 53.7 wt % (60 °C);
Solubility in xylene	27.7 wt % (20 °C); 38.9 wt % (40 °C); 50.7 wt % (60 °C);
Magnetic susceptibility (χ)	−149×10−6 cm3/mol
Refractive index (nD)	1.62 (589 nm)
Structure
Crystal structure	orthorhombic
Space group	62 (Pnma, D16; 2h)
Point group	D3h
Lattice constant	a = 13.87 Å, b = 12.83 Å, c = 6.09 Å
Formula units (Z)	4
Molecular shape	chair (slightly ruffled)
Dipole moment	0 D
Thermochemistry
Std enthalpy of; formation (ΔfH⦵298)	−812.4 kJ/mol
Enthalpy of vaporization (ΔfHvap)	55.2 kJ/mol
Enthalpy of sublimation (ΔfHsublim)	76.2 kJ/mol
Hazards
	Occupational safety and health (OHS/OSH):
Main hazards	mild irritant
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H314
Precautionary statements	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501
Flash point	Non-flammable
Related compounds
Related compounds	Hexafluorophosphazene
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Hexachlorophosphazene is an inorganic compound with the formula (NPCl₂)₃. The molecule has a cyclic, unsaturated backbone consisting of alternating phosphorus and nitrogen centers, and can be viewed as a trimer of the hypothetical compound N≡PCl₂. Its classification as a phosphazene highlights its relationship to benzene. There is large academic interest in the compound relating to the phosphorus-nitrogen bonding and phosphorus reactivity.

Occasionally, commercial or suggested practical applications have been reported, too, utilising hexachlorophosphazene as a precursor chemical. Derivatives of noted interest include the hexalkoxyphosphazene lubricants obtained from nucleophilic substitution of hexachlorophosphazene with alkoxides, or chemically resistant inorganic polymers with desirable thermal and mechanical properties known as polyphosphazenes produced from the polymerisation of hexachlorophosphazene.

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