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Bis(triphenylphosphine)(2-methylphenyl) Nickel(II) chloride

Bis(triphenylphosphine)(2-methylphenyl) Nickel(II) chloride

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Molecular Formula:

C43H37ClNiP2

Molecular Weight:

709.85

CAS Number:

27057-09-6

Catalog Number:

27057-09-6

Product Information

Molecular Formula:

C43H37ClNiP2

Molecular Weight:

709.85

Description

Bis(triphenylphosphine)(2-methylphenyl) Nickel(II) chloride is a precursor to the synthesis of an air-stable Ni-precatalyst developed by Buchwald and coworkers.

Synonyms

Nickel, chloro(2-methylphenyl)bis(triphenylphosphine)-; Chloro(2-methylphenyl)bis(triphenylphosphine)nickel; Nickel, chloro-o-tolylbis(triphenylphosphine)-; Chloro(2-methylphenyl)bis(triphenylphosphine)nickel(II); Buchwald Nickel Cross-Coupling Catalyst Precursor; [Bis(triphenylphosphine)](o-tolyl)chloronickel; Bis(triphenylphosphino)(2-methylphenyl)chloronickel(II)

IUPAC Name

chloronickelmethylbenzenetriphenylphosphanium

Canonical SMILES

[Cl-][Ni+2]([C-]=1C=CC=CC1C)([P](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4)[P](C=5C=CC=CC5)(C=6C=CC=CC6)C=7C=CC=CC7

InChI

InChI=1S/2C18H15P.C7H7.ClH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;/h2*1-15H;2-5H,1H3;1H;/q;;-1;;+2/p-1

InChI Key

MGLHADXHXFFLNM-UHFFFAOYSA-M

Melting Point

195-200°C

Flash Point

Not applicable

Purity

≥95%

Appearance

Yellow Powder

Application

Transition Metal Catalysts

Storage

Store at 2-8°C

Safety Information

Hazards

H317 - H350

Precautionary Statement

P201 - P280 - P302 + P352 - P308 + P313

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

710.156895 g/mol

Monoisotopic Mass

710.156895 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

725

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

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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Bis(triphenylphosphine)(2-methylphenyl) Nickel(II) chloride

Product Information

Safety Information

Computed Properties

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