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2,2,4,4,6,6-Hexakis[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]-2λ5,4λ5,6λ5-1,3,5,2,4,6-triazatriphosphorine

2,2,4,4,6,6-Hexakis[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]-2λ5,4λ5,6λ5-1,3,5,2,4,6-triazatriphosphorine - CAS 16059-16-8

Catalog:	BB064260
Product Name:	2,2,4,4,6,6-Hexakis[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]-2λ5,4λ5,6λ5-1,3,5,2,4,6-triazatriphosphorine
CAS:	16059-16-8
Synonyms:	2,2,4,4,6,6-Hexahydro-2,2,4,4,6,6-hexakis[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]-1,3,5,2,4,6-triazatriphosphorine; 2,2,4,4,6,6-Hexahydro-2,2,4,4,6,6-hexakis[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]-1,3,5,2,4,6-triazatriphosphorine; Hexakis(1,1,5-hydroperfluoropentoxy)cyclotriphosphazene; Phospharol NF 100; X 100; X 100 (lubricant)

2,2,4,4,6,6-Hexakis[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]-2λ5,4λ5,6λ5-1,3,5,2,4,6-triazatriphosphorine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2,2,4,4,6,6-hexakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
Description:	2,2,4,4,6,6-Hexakis[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]-2λ5,4λ5,6λ5-1,3,5,2,4,6-triazatriphosphorine is a component of Ultramark 1621 which is a useful calibration compound for negative and positive ion fast-atom bombardment (FAB) high-resolution mass spectrometry.
Molecular Weight:	1521.33
Molecular Formula:	C30H18F48N3O6P3
Canonical SMILES:	C(C(C(C(C(F)F)(F)F)(F)F)(F)F)OP1(=NP(=NP(=N1)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F
InChI:	InChI=1S/C30H18F48N3O6P3/c31-7(32)19(55,56)25(67,68)13(43,44)1-82-88(83-2-14(45,46)26(69,70)20(57,58)8(33)34)79-89(84-3-15(47,48)27(71,72)21(59,60)9(35)36,85-4-16(49,50)28(73,74)22(61,62)10(37)38)81-90(80-88,86-5-17(51,52)29(75,76)23(63,64)11(39)40)87-6-18(53,54)30(77,78)24(65,66)12(41)42/h7-12H,1-6H2
InChI Key:	TYEUBAWEDRQJFN-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	Colorless Oil
Storage:	Hygroscopic, -20°C Freezer, Under inert atmosphere
References:	Jiang, L., et al. J. Am. Soc. Mass Spec., 3, 842 (1992).

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