Bis(triphenylphosphine)nickel(II) dichloride

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Molecular Formula:

[(C6H5)3P]2NiCl2

Molecular Weight:

654.17

CAS Number:

14264-16-5

Catalog Number:

14264-16-5

Product Information

Molecular Formula:

[(C6H5)3P]2NiCl2

Molecular Weight:

654.17

Description

Catalyst in the coupling reaction of aryl mesylates and allylic carbonates with lithium organoborates.

Synonyms

Dichlorobis(triphenylphosphine)nickel(II),NiCl2(PPh3)2,Nickel(II)bis(triphenylphosphine) dichloride

IUPAC Name

dichloronickeltriphenylphosphane

Canonical SMILES

Cl[Ni]Cl.c1ccc(cc1)P(c2ccccc2)c3ccccc3.c4ccc(cc4)P(c5ccccc5)c6ccccc6

InChI

InChI=1S/2C18H15P.2ClH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2*1-15H2*1H/q+2/p-2

InChI Key

ZBRJXVVKPBZPAN-UHFFFAOYSA-L

Melting Point

250 °C (dec.) (lit.)

Flash Point

Not applicable

Purity

0.9999

Appearance

Dark green to Dark blue to Black powder to crystal

Application

Ni(PPh3)2Cl2 may be used to undertake nickel assisted phosphination of biaryl O,N triflates with chlorodiphenylphosphine.

Storage

Store in a cool, dry place. Store in a tightly closed container. Keep under a nitrogen blanket.

LogP

4.04770

Safety Information

Hazards

H302 H372 H317 H334 H350

Precautionary Statement

P501 P272 P260 P270 P202 P201 P264 P280 P284 P302 + P352 P308 + P313 P362+P364 P304 + P340 P333 + P313 P301 + P312 + P330 P405

Signal Word

Danger

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

652.055322 g/mol

Monoisotopic Mass

652.055322 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

204

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)nickel(II) dichloride

Product Information

Safety Information

Computed Properties

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