(dppf)Ni(o-tolyl)Cl

Inquiry

Molecular Formula:

C41H35ClFeNiP2

Molecular Weight:

739.66

CAS Number:

1501945-23-8

Catalog Number:

1501945-23-8

Product Information

Molecular Formula:

C41H35ClFeNiP2

Molecular Weight:

739.66

Description

(dppf)Ni(o-tolyl)Cl, a biomedicine compound of note, functions prominently as a catalyst in cross-coupling reactions. This notable compound tends to facilitate the production of drugs, mainly focusing on the targeted research of neoplastic diseases and infectious diseases.

Synonyms

Buchwald Ni Catalyst

IUPAC Name

chloronickelcyclopentyl(diphenyl)phosphaneironmethylbenzene

Canonical SMILES

CC1=CC=CC=[C-]1.C1CCC(C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1CCC(C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ni].[Fe]

InChI

InChI=1S/2C17H19P.C7H7.ClH.Fe.Ni/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-161-7-5-3-2-4-6-7/h2*1-6,9-12,17H,7-8,13-14H22-5H,1H31H/q-1+1/p-1

InChI Key

ILHGHGMNIAAELD-UHFFFAOYSA-M

Melting Point

173 °C

Purity

95%

Storage

2-8°C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

748.138780 g/mol

Monoisotopic Mass

748.138780 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

-1

Complexity

359

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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(dppf)Ni(o-tolyl)Cl

Product Information

Computed Properties

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