trans-Bis(tricyclohexylphosphine)(2-methylphenyl)nickel(II) chloride

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Product Information

Molecular Formula:
C43H73ClNiP2
Molecular Weight:
746.13
Description
The following Ni-complex is an air-stable precatalyst for various Ni-catalyzed reactions which normally require Ni(cod)2, however, this precatalyst will not require any glovebox or schlenk techniques that must be followed with Ni(cod)2. Rates are enhanced and selectivity is maintained when compared to the same reaction with Ni(cod)2.
Synonyms
trans-(PCy3)2Ni(o-tolyl)Cl
IUPAC Name
chloronickelmethylbenzenetricyclohexylphosphane
Canonical SMILES
CC1=CC=CC=[C-]1.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.Cl[Ni]
InChI
InChI=1S/2C18H33P.C7H7.ClH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-181-7-5-3-2-4-6-7/h2*16-18H,1-15H22-5H,1H31H/q-1+1/p-1
InChI Key
RVIRJWDDPXBWOV-UHFFFAOYSA-M
Melting Point
>300 °C
Flash Point
Not applicable
Purity
≥95%

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
6
Exact Mass
744.422946 g/mol
Monoisotopic Mass
744.422946 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
47
Formal Charge
-1
Complexity
347
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
4
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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