IdentificationPhysical DataSpectraRoute 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 availableMolecular StructureCAS Registry Number 32760-80-8EINECS NumberNo data available MDL NumberNo data available Beilstein Registry NumberNo data available Synonyms1,4-Cyclopentadien-1-yleisen(1+)hexafluorophosphat -isopropylbenzol (1:1:1) ;1,4-Cyclopentadien-1-yliron(1+) hexafluorophosphate isopropylbenzene (1:1:1) ;Hexafluorophosphate de 1,4-cyclopentadién-1-ylfer(1+) - isopropylbenzène (1:1:1) ;(6-Cumene)(5-cyclopentadienyl)iron(II) hexafluorophosphate;32760-80-8 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).F(F)(F)(F)(F)F
Patent InformationNo 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 1Fe{(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 1Fe{(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
ConditionsYieldIn 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 availableGHS Hazard StatementsNo data available Precautionary Statement CodesNo data available
For more detailed information, please visit ECHA C&L website Source: European Chemicals Agency (ECHA)License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.License URL: https://echa.europa.eu/web/guest/legal-noticeRecord Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphateURL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446Description: 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 lightHS CodeNo data available StorageUnder the room temperature and away from lightShelf LifeNo data available Market PriceUSD
Use PatternIron(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;
https://www.chemwhat.com/iron1-eta-5-24-cyclopentadien-1-yl123456-eta-1-methylethylbenzene-hexafluorophosphate1-cas-32760-80-8/
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