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

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

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Molecular Formula:

C43H73ClNiP2

Molecular Weight:

746.13

CAS Number:

123839-28-1

Catalog Number:

123839-28-1

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

744.422946 g/mol

Monoisotopic Mass

744.422946 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

-1

Complexity

347

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

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

Product Information

Computed Properties

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