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Chloro(4-cyanophenyl)[(R)-1-[(S)-2-(dicyclohexylphosphino)ferrocenyl]ethyldiphenylphosphine]nickel(II)

Chloro(4-cyanophenyl)[(R)-1-[(S)-2-(dicyclohexylphosphino)ferrocenyl]ethyldiphenylphosphine]nickel(II)

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Molecular Formula:

C43H48ClFeNNiP2

Molecular Weight:

790.79

CAS Number:

2049086-36-2

Catalog Number:

2049086-36-2

Product Information

Molecular Formula:

C43H48ClFeNNiP2

Molecular Weight:

790.79

Description

Amination of aryl chlorides with ammonium salts.

Synonyms

SK-J004-1n

IUPAC Name

benzonitrilechloronickelcyclopentanedicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopentyl]phosphaneiron

Canonical SMILES

C[Ni+]C1=CC=C(C#N)C=C1.[C]2(CP(C3=CC=CC=C3)C4=CC=CC=C4)[C][C][C][C]2P(C5CCCCC5)C6CCCCC6.[C]7[C][C][C][C]7.[Fe]

InChI

InChI=1S/C31H44P2.C7H4N.C5H10.ClH.Fe.Ni/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-298-6-7-4-2-1-3-5-71-2-4-5-3-1/h2-3,6-9,15-18,25,28-31H,4-5,10-14,19-24H2,1H32-5H1-5H21H/q-1+1/p-1/t25-,30?,31?/m1...../s1

InChI Key

ZVSAOIBZIZNXRK-BAEAESNCSA-M

Flash Point

Not applicable

Purity

≥95%

Appearance

Powder or Solid

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

799.243580 g/mol

Monoisotopic Mass

799.243580 g/mol

Topological Polar Surface Area

23.8Å²

Heavy Atom Count

Formal Charge

-1

Complexity

730

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(4-cyanophenyl)[(R)-1-[(S)-2-(dicyclohexylphosphino)ferrocenyl]ethyldiphenylphosphine]nickel(II)

Product Information

Computed Properties

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