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Hexakis(1H,1H,6H-Decafluorohexanoxy)phosphazene

CAT: 0572-TRC-H293983-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H293983-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
186406-48-4
Synonyms
2,2,4,4,6,6-Hexakis((2,2,3,3,4,4,5,5,6,6-decafluorohexyl)oxy)-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine;
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COP1(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)=NP(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)=NP(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)=N1
Molecular Formula
C36H18F60N3O6P3
Molecular Weight
1821.37
Shipping Conditions
Ice Packs
Storage Conditions
-20°C

Chemical Information

Hexakis(1H,1H,6H-Decafluorohexanoxy)phosphazene
CAS Number186406-48-4
PubChem CID53792706
IUPAC Name2,2,4,4,6,6-hexakis(2,2,3,3,4,4,5,5,6,6-decafluorohexoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Molecular FormulaC36H18F60N3O6P3
Molecular Weight1821.4
XLogP22.1
Topological Polar Surface Area92.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count69
Rotatable Bond Count42
Heavy Atom Count108
Formal Charge0
Complexity2710
SMILES
C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)OP1(=NP(=NP(=N1)(OCC(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C36H18F60N3O6P3/c37-7(38)19(61,62)31(85,86)25(73,74)13(49,50)1-100-106(101-2-14(51,52)26(75,76)32(87,88)20(63,64)8(39)40)97-107(102-3-15(53,54)27(77,78)33(89,90)21(65,66)9(41)42,103-4-16(55,56)28(79,80)34(91,92)22(67,68)10(43)44)99-108(98-106,104-5-17(57,58)29(81,82)35(93,94)23(69,70)11(45)46)105-6-18(59,60)30(83,84)36(95,96)24(71,72)12(47)48/h7-12H,1-6H2
InChIKey
FCYXYXSADZPFRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexakis(1H,1H,6H-Decafluorohexanoxy)phosphazene
CAS: 186406-48-4
CID: 53792706
Formula: C36H18F60N3O6P3
MW: 1821.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1821.4
XLogP322.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count69
Rotatable Bond Count42
Exact Mass1820.9450360
Monoisotopic Mass1820.9450360
Topological Polar Surface Area92.5 Ų
Heavy Atom Count108
Formal Charge0
Complexity2710
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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PC450169Hexakis (1H,1H-perfluorobutoxy) phosphazene
PC450173Hexakis (1H,1H-perfluorohexyloxy) phosphazene
PC450176Hexakis (1H,1H-nonafluoropentoxy) phosphazene
PC53164Hexakis (1H,1H-perfluoroheptoxy) phosphazene
PC0725Hexakis (1H,1H-perfluoropropoxy) phosphazene
PC450202Hexakis (1H,1H-trifluoroethoxy) phosphazene
sc-263379AHexakis (1H,1H,3H-perfluoropropoxy) phosphazene
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