(Cumene)cyclopentadienyliron(II) Hexafluorophosphate CAS#: 32760-80-8; ChemWhat Code: 345048

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameIron(1+), (.eta.5-2,4-cyclopentadien-1-yl)(1,2,3,4,5,6-.eta.)-(1-methylethyl)benzene-, hexafluorophosphate(1-)
IUPAC NameNo data available
Molecular StructureStructure of CumenecyclopentadienylironII-hexafluorophosphate CAS 32760-80-8
CAS Registry Number 32760-80-8
EINECS NumberNo data available
MDL NumberNo data available
Beilstein Registry NumberNo data available
Synonyms1,4-Cyclopentadien-1-yleisen(1+)hexafluorophosphat -isopropylbenzol (1:1:1) [German] [ACD/IUPAC Name];1,4-Cyclopentadien-1-yliron(1+) hexafluorophosphate isopropylbenzene (1:1:1) [ACD/IUPAC Name];Hexafluorophosphate de 1,4-cyclopentadién-1-ylfer(1+) – isopropylbenzène (1:1:1) [French] [ACD/IUPAC Name];(6-Cumene)(5-cyclopentadienyl)iron(II) hexafluorophosphate;32760-80-8 [RN]
Molecular FormulaC14H17Fe·PF6
Molecular Weight386.10
InChIInChI=1S/C9H12.C5H5.F6P.Fe/c1-8(2)9-6-4-3-5-7-9;1-2-4-5-3-1;1-7(2,3,4,5)6;/h3-8H,1-2H3;1-2,5H,3H2;;/q;;-1;+1
InChI KeyGAZHGSWLYPERRV-UHFFFAOYSA-N
Canonical SMILESCC(C)c1ccccc1.C1C=CC
(=C1)[Fe+].F[P-](F)(
F)(F)(F)F
Patent Information
No data available

Physical Data

AppearanceYellow powder
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available
Base Formula (One-Center Ligands) Formula (One-Center Ligands) Count (One-Center Ligands)
Fe{(5)L}{(6)L} (5)L 1
Fe{(5)L}{(6)L} (6)L 1
Base Formula (Multi-Center Ligands) Formula (Multi-Center Ligands) Count (Multi-Center Ligands)
Fe{(5)L}{(6)L} (5)L 1
Fe{(5)L}{(6)L} (6)L 1
Description (Magnetic Data) Temperature (Magnetic Data), °C Moment (Magnetic Data), Acm2 Comment (Magnetic Data)
Diamagnetic
Melting Point, °C
269

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Comment (NMR Spectroscopy)
13Cnitromethane-d3=CD3NO2 Signals given
Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Comment (UV/VIS Spectroscopy)
Band assignment, Spectrum acetonitrile
Spectrum, Band assignmentacetone 300 nm – 800 nm
Spectrum, Band assignmentCH2Cl2 350 nm – 800 nm

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Iron(1+), (.eta.5-2,4-cyclopentadien-1-yl)(1,2,3,4,5,6-.eta.)-(1-methylethyl)benzene-, hexafluorophosphate(1-) CAS 32760-80-8
Route of Synthesis (ROS) of Iron(1+), (.eta.5-2,4-cyclopentadien-1-yl)(1,2,3,4,5,6-.eta.)-(1-methylethyl)benzene-, hexafluorophosphate(1-) CAS 32760-80-8
ConditionsYield
In diethyl ether byproducts: H2O2; The dimeric peroxide complex is hydrolyzed by HPF6 at -80°C under dry N2.; characterization by (1)H NMR;50%

Safety and Hazards

SignalNo data available
GHS Hazard StatementsNo data available
Precautionary Statement CodesNo data available
For more detailed information, please visit ECHA C&L website
Source: European Chemicals Agency (ECHA)
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License URL: https://echa.europa.eu/web/guest/legal-notice
Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate
URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446
Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database

Other Data

TransportationNo data available
Under the room temperature and away from light
HS CodeNo data available
StorageUnder the room temperature and away from light
Shelf LifeNo data available
Market PriceUSD
Use Pattern
Iron(1+), (.eta.5-2,4-cyclopentadien-1-yl)(1,2,3,4,5,6-.eta.)-(1-methylethyl)benzene-, hexafluorophosphate(1-) CAS#: 32760-80-8 mainly used as Cationic photoinitiator.
Iron(1+), (.eta.5-2,4-cyclopentadien-1-yl)(1,2,3,4,5,6-.eta.)-(1-methylethyl)benzene-, hexafluorophosphate(1-) CAS#: 32760-80-8 have Widerange of UV absorption;
Good thermal stability, High solubility;
Low-volatility, mild-smell and environment friendly;

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