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| CAS No.: | 940-71-6 |
|---|---|
| Name: | Phosphonitrilic chloride trimer |
| Article Data: | 62 |
| Cas Database | |
| Molecular Structure: | |
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|
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| Formula: | Cl6N3P3 |
| Molecular Weight: | 347.659 |
| Synonyms: | 1,3,5,2,4,6-Triazatriphosphorine,2,2,4,4,6,6-hexachloro-2,2,4,4,6,6-hexahydro- (8CI,9CI);Phosphonitrilechloride, trimer (6CI);2,2,4,4,6,6-Hexachloro-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine;2,2,4,4,6,6-Hexachlorocyclotriphosphazatriene;2,2,4,4,6,6-Hexachlorocyclotriphosphazene;Cyclophosphazene dichloride trimer;Hexachlorocyclotriphosphazene;Dichlorophosphazene cyclic trimer;Dichlorophosphazene trimer;Hexachloro-1,3,5,2,4,6-triazatriphosphorine;Hexachlorocyclophosphazatriene;2l5,4l5,6l5-1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexachloro-;Hexachlorotriphosphazene;Hexachlorotriphosphonitrile;NSC 209799;NSC 2667;Phosnic 390;Phosphonitrilechloride, cyclic trimer;Triphosphonitrilic chloride; |
| EINECS: | 213-376-8 |
| Density: | 2.568 g/cm3 |
| Melting Point: | 112-115 °C(lit.) |
| Boiling Point: | 127 °C (13 mmHg) |
| Flash Point: | N/A |
| Solubility: | N/A |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 C
|
| Risk Codes: | 14-34-20/21/22 |
| Safety: | 26-36/37/39-45-7/8-41 |
| Transport Information: | UN 3260 8/PG 2 |
| PSA: | 55.83000 |
| LogP: | 5.57820 |
phosphorus pentachloride
ammonium chloride
2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine
| Conditions | Yield |
|---|---|
| With pyridine; magnesium chloride In chlorobenzene at 80 - 132℃; Inert atmosphere; | 71% |
| Stage #1: ammonium chloride With pyridine; magnesium chloride In 1,1,2,2-tetrachloroethane at 145℃; for 12h; Stage #2: phosphorus pentachloride In 1,1,2,2-tetrachloroethane at 145℃; Solvent; Temperature; | 61.78% |
| In chlorobenzene at 120 - 130℃; Inert atmosphere; Reflux; | 60.6% |
phosphorus pentachloride
ammonium chloride
A
2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine
B
(NPCl2)8
C
octachlorocyclotetraphosphazene
E
pentakisphosphorus nitride dichloride
F
hexakisphosphorus nitride dichloride
G
heptakisphosphorus nitride dichloride
| Conditions | Yield |
|---|---|
| In chlorobenzene Schlenk technique; Reflux; | A 64% B 6% C 5% D 2% E 16% F 16% G 13% |
tris(trimethylsilyl)amine
phosphorus pentachloride
2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine
| Conditions | Yield |
|---|---|
| In dichloromethane inert atmosphere; dropwise addn. of 1 equiv. PCl5 to amine at 25°C, stirring for 12 h; not isolated, detd. by (31)P-NMR spectroscopy; | 49% |
phosphorus pentachloride
2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine
| Conditions | Yield |
|---|---|
| In chlorobenzene react. of PCl5 with NH4Cl (ratio 1:1.5) in C6H5Cl at 124-127 °C (20-50 h);; | 40% |
| In chlorobenzene react. of PCl5 with NH4Cl (ratio 1:1.2) in C6H5Cl at 132-134 °C (20 h);; | 20-22 |
| In further solvent(s) in 1,1,2,2-tetrachloroethane; recrystn. from petroleum ether; |
phosphorus pentachloride
ammonia
2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine
| Conditions | Yield |
|---|---|
| In further solvent(s) passing gaseous NH3 in a soln. of PCl5 in (CHCl2)2;; | 16% |
tris(trimethylsilyl)amine
phosphorus pentachloride
A
2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine
B
trichloro(trimethylsilyl)phosphoranimine
| Conditions | Yield |
|---|---|
| In dichloromethane inert atmosphere; dropwise addn. of 0.5-1 equiv. PCl5 to amine at -78 or25°C, stirring for 30 min to 12 h; yields depending on educt rat io, reaction temp., time and rate of addn.; product mixt. not sepd., detd. by (31)P-NMR spectroscopy; | A 5% B 5% |
thionyl chloride
tetrasulfur tetranitride
phosphorus trichloride
2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine
| Conditions | Yield |
|---|---|
| In benzene addn. of PCl3 to a soln. of S4N4 in C6H6 containing SOCl2; formation of a brown main product and crystals of (PNCl2)3;; | |
| In benzene addn. of PCl3 to a soln. of S4N4 in C6H6 containing SOCl2; formation of a brown main product and crystals of (PNCl2)3;; |
mercury amidochloride
phosphorus pentachloride
A
2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine
| Conditions | Yield |
|---|---|
| In neat (no solvent) heating with HgNH2Cl; formation of a mixture of P3N3Cl6, (PNCl2)(n), HgCl2 and NH4Cl;; | |
| In neat (no solvent) heating with HgNH2Cl; formation of a mixture of P3N3Cl6, (PNCl2)(n), HgCl2 and NH4Cl;; |
phosphorus pentachloride
ammonia
A
2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine
B
octachlorocyclotetraphosphazene
| Conditions | Yield |
|---|---|
| In tetrachloromethane pptn. of NH4Cl from a soln. of 3 g PCl5 in 1000 ml CCl4 half-saturated with gaseous NH3 at -3 °C; soln. contains (PNCl2)3 and (PNCl2)4;; evapn. of the mother liquor, fractional crystn. from toluene;; | |
| In tetrachloromethane pptn. of NH4Cl from a soln. of 3 g PCl5 in 1000 ml CCl4 half-saturated with gaseous NH3 at -3 °C; soln. contains (PNCl2)3 and (PNCl2)4;; evapn. of the mother liquor, fractional crystn. from toluene;; |
chlorine
phosphorus trichloride
A
2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine
C
octachlorocyclotetraphosphazene
| Conditions | Yield |
|---|---|
| In further solvent(s) dissolving PCl3 distd. under N2 in benzyl chloride distd. under N2; addn. of NH4Cl dryed in vac. and passing in the corresponding amount of Cl2; heating in a stream of N2 at 130 °C; removal of formed HCl by a stream of N2;; filtration, distg. off the solvent at 40 °C and 0.5 Torr; recrystn. from petroleum ether; product contains small amounts of higher polymers;; |
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Molecule structure of Hexachlorocyclotriphosphazene (CAS NO.940-71-6):
IUPAC Name: 1,1,3,3,5,5-Hexachloro-2,4,6-triaza-1λ5,3λ5,5λ5-triphosphacyclohexa-1,3,5-triene
Molecular Formula: Cl6N3P3
Molecular Weight: 347.66 g/mol
EINECS: 213-376-8
Melting Point: 112-115 °C(lit.)
Density: 1.98 g/mL at 25 °C(lit.)
Boiling Point: 127 °C (13 mmHg)
Sensitive: Moisture Sensitive
Surface Tension: 120.7 dyne/cm
XLogP3-AA: 5.3
H-Bond Acceptor: 3
Canonical SMILES: N1=P(N=P(N=P1(Cl)Cl)(Cl)Cl)(Cl)Cl
InChI: InChI=1S/Cl6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10
InChIKey: UBIJTWDKTYCPMQ-UHFFFAOYSA-N
Product Categories: API intermediates
The reaction of PCl5 and NH4Cl affords substances with the empirical formula PNCl2: Purification by sublimation gives mainly the trimer (PNCl2)3 and tetramer (PNCl2)4. These rings were described by Liebig in 1832 in his study of the reaction of PCl5 and NH3:
PCl5 + NH4Cl → 1/n (NPCl2)n + 4 HCl
Typically reactions are conducted in chlorobenzene solution.
Hazard Codes: C
Risk Statements: 14-34-20/21/22
14: Reacts violently with water
20: Harmful by inhalation
21: Harmful in contact with skin
22: Harmful if swallowed
34: Causes burns
Safety Statements: 26-36/37/39-45-7/8-41
7: Keep container tightly closed
8: Keep container dry
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
41: In case of fire and/or explosion do not breathe fumes
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
RIDADR: UN 3260 8/PG 2
WGK Germany: 3
F: 21
HazardClass: 8
PackingGroup: II
Hexachlorocyclotriphosphazene (CAS NO.940-71-6) also named as Cyclophosphazene dichloride trimer ; Cyclophosphonitrilic chloride trimer ; Dichlorocyclophosphazine trimer ; Hexachloro-1,3,5,2,4,6-triazatriphosphorine ; Hexachlorophosphazene ; Phosphonitrile chloride, cyclic trimer ; Phosphonitrilic chloride trimer ; Triphosphonitrile chloride ; 1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexachloro-2,2,4,4,6,6-hexahydro- ; 2,2,4,4,6,6-Hexachloro-1,3,5-triaza-2,4,6-triphosphorine ; 2lambda5,4lambda5,6lambda5-1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexachloro- . Hexachlorocyclotriphosphazene (CAS NO.940-71-6) is white crystalline powder.
