Hexakis(1H,1H,9H-perfluorononyloxy)phosphazene
Basic information
- CAS
186043-67-4- Standard SMILES
FC(F)C(F)(F)C(F)(F)C(F)(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)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)C(F)(F)C(F)(F)C(F)F)(OCC(F)(F)C(F)(F)C(F)(F)C(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)C(F)(F)C(F)(F)C(F)F)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)=N1- InChIKey
ZVDUXGKGHNHXGM-UHFFFAOYSA-N- Molecular formula
- C54H18F96N3O6P3
- Average molar mass
- 2,721.5 g/mol
- Monoisotopic mass
- 2,720.8875499
Names & identifiers
- Preferred name
- Hexakis(1H,1H,9H-perfluorononyloxy)phosphazene
- IUPAC
- 2,2,4,4,6,6-hexakis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
- English name
- Hexakis(1H,1H,9H-perfluorononyloxy)phosphazene
- Molecular formula
- C54H18F96N3O6P3
- Molecular weight
- 2721.51
Names & synonyms
Hexakis(1H,1H,9H-perfluorononyloxy)phosphazeneRefChem:786183809-871-9186043-67-4MFCD077843342,2,4,4,6,6-Hexakis((2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyloxy)-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine2,2,4,4,6,6-hexakis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-trieneZVDUXGKGHNHXGM-UHFFFAOYSA-NSCHEMBL8507108DTXSID10893566C54H18F96N3O6P3MSK000298
Show more names
Hexakis(1H,1H,9H-perfluorononyloxy)phosphazene 95%2,2,4,4,6,6-Hexa (2,2,3,3,4,5,6,7,8,9,9-Hexafluorononyloxy) -2,2,4,4,6,6-Hexahydro-1,3,5,2,4,6-triazotriphosphophenyl1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexakis[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl)oxy]-2,2,4,4,6,6-hexahydro- (9CI)6-butoxy-2,2,4,4-tetrakis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-1,3,5-triaza-2$l^{5},4$l^{5}-diphospha-6-phosphoniacyclohexa-1,3,5-triene
Properties
Computed structural properties
- XLogP
- 34.2
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 105
- Rotatable bonds
- 60
- Heavy atoms
- 162
- Formal charge
- 0
- Complexity
- 4,460
Experimental & physicochemical properties
PFASPFAS -> Other/unspecified
Collision Cross Section427.5 Ų [M+K]+
Physicochemical properties
- Density
- 1.84 · 1.84±0.1 g/cm3(Predicted)
- form
- Solid
- pka
- -9.98 · -9.98±0.50(Predicted)
- EPA Substance Registry System
- 1 · 1,3,5,2,4,6-Triazatriphosphorine,2,2,4,4,6,6-hexakis[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl)oxy]-2,2,4,4,6,6-hexahydro- (186043-67-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P280-P260
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302+H332 (50%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
P203, P260, P261, P263, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P280-P260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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