Hexachlorophosphazene

Hexachlorophosphazene
Hexachlorophosphazene conventional formula and bond lengths
Hexachlorophosphazene ball-and-stick model
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
3D model (JSmol)
ChEMBL
ChemSpider
ECHA InfoCard 100.012.160 Edit this at Wikidata
EC Number
  • 213-376-8
UNII
  • InChI=1S/Cl6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10 checkY
    Key: UBIJTWDKTYCPMQ-UHFFFAOYSA-N checkY
  • InChI=1/Cl6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10
    Key: UBIJTWDKTYCPMQ-UHFFFAOYAJ
  • N1=P(N=P(N=P1(Cl)Cl)(Cl)Cl)(Cl)Cl
Properties
(NPCl2)3
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)
60 °C at 0.05 Torr
decomposes
Solubility in carbon tetrachloride
  • 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)
−149×10−6 cm3/mol
1.62 (589 nm)
Structure
orthorhombic
62 (Pnma, D16
2h)
D3h
a = 13.87 Å, b = 12.83 Å, c = 6.09 Å
4
chair (slightly ruffled)
0 D
Thermochemistry
−812.4 kJ/mol
55.2 kJ/mol
76.2 kJ/mol
Hazards
Occupational safety and health (OHS/OSH):
Main hazards
 mild irritant
GHS labelling:
GHS05: Corrosive
Danger
H314
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
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Hexachlorophosphazene is an inorganic compound with the chemical formula (NPCl2)3. The molecule has a cyclic, unsaturated backbone consisting of alternating phosphorus and nitrogen atoms, and can be viewed as a trimer of the hypothetical compound N≡PCl2 (phosphazyl dichloride). Its classification as a phosphazene highlights its relationship to benzene.[1] There is large academic interest in the compound relating to the phosphorus-nitrogen bonding and phosphorus reactivity.[2][3]

Occasionally, commercial or suggested practical applications have been reported, too, utilising hexachlorophosphazene as a precursor chemical.[2][4] Derivatives of noted interest include the hexalkoxyphosphazene lubricants obtained from nucleophilic substitution of hexachlorophosphazene with alkoxides,[4] or chemically resistant inorganic polymers with desirable thermal and mechanical properties known as polyphosphazenes produced from the polymerisation of hexachlorophosphazene.[2][4]

  1. ^ Allen, Christopher W. (1991-03-01). "Regio- and stereochemical control in substitution reactions of cyclophosphazenes". Chemical Reviews. 91 (2): 119–135. doi:10.1021/cr00002a002. ISSN 0009-2665.
  2. ^ a b c Cite error: The named reference G&E was invoked but never defined (see the help page).
  3. ^ Chaplin, Adrian B.; Harrison, John A.; Dyson, Paul J. (2005-11-01). "Revisiting the Electronic Structure of Phosphazenes". Inorganic Chemistry. 44 (23): 8407–8417. doi:10.1021/ic0511266. ISSN 0020-1669. PMID 16270979.
  4. ^ a b c Mark, J. E.; Allcock, H. R.; West, R. “Inorganic Polymers” Prentice Hall, Englewood, NJ: 1992. ISBN 0-13-465881-7.