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Chloro(1-naphthyl)bis(triphenylphosphine)nickel(II)

Chloro(1-naphthyl)bis(triphenylphosphine)nickel(II)

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Molecular Formula:

C46H37ClNiP2

Molecular Weight:

745.88

CAS Number:

54806-25-6

Catalog Number:

54806-25-6

Product Information

Molecular Formula:

C46H37ClNiP2

Molecular Weight:

745.88

Description

Nickel Catalyst for Carbon-Nitrogen Coupling

Synonyms

trans-Chloro(1-naphthyl)bis(triphenylphosphine)nickel(II)

IUPAC Name

1H-naphthalen-1-idenickel(2+)triphenylphosphaniumchloride

Canonical SMILES

C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C2[C-]=CC=CC2=C1.[Cl-].[Ni+2]

InChI

InChI=1S/2C18H15P.C10H7.ClH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-181-2-6-10-8-4-3-7-9(10)5-1/h2*1-15H1-7H1H/q-1+2/p+1

InChI Key

OQTKZOVRPFQUDT-UHFFFAOYSA-O

Melting Point

187-191 °C

Flash Point

Not applicable

Purity

97%

Storage

20-25°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

746.156895 g/mol

Monoisotopic Mass

746.156895 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

754

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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Chloro(1-naphthyl)bis(triphenylphosphine)nickel(II)

Product Information

Safety Information

Computed Properties

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