1,1-Bis(phenylphosphinidene)ferrocene

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Product Information

Molecular Formula:
C5H4PC6H5C5H4Fe
Molecular Weight:
292.09
Description
Reactant for:• Preparation of macrocyclic tridentate ferrocenylphosphine ligands• Preparation of phosphorus-bridged ferrocenophane with syn and anti conformations• Reaction with phenyllithium and chlorophosphine to give ferrocenediyl ligand and its rhodium complex catalyst for selective hydroformylation of alkenes• Ring-opening reactions via ring slippage• Preparation of palladium chloro (ferrocene-bridged)phosphine-phosphonite complex for catalysis of Heck reaction of iodobenzene with Me acrylate
Synonyms
1,1-(Ferrocenediyl)phenylphosphine
Canonical SMILES
C1=CC=C(C=C1)P([C]2[CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH]3.[Fe]
InChI
InChI=1S/C16H13P.Fe/c1-2-8-14(9-3-1)17(15-10-4-5-11-15)16-12-6-7-13-16/h1-13H
InChI Key
HKOUDNXXOXEYNZ-UHFFFAOYSA-N
Melting Point
88-92 °C (lit.)
Flash Point
Not applicable
Purity
97%
Storage
2-8°C

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
3
Exact Mass
292.010423 g/mol
Monoisotopic Mass
292.010423 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
204
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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