1,3-Bis(diphenylphosphino)propane nickel(II) chloride

Product Information

Molecular Formula:
C27H26Cl2NiP2
Molecular Weight:
542.04
Description
1,3-Bis(diphenylphosphino)propane nickel(II) chloride is used as an effective catalyst for Kumada coupling and Suzuki reactions.
Synonyms
Ni(dppp)Cl2; 1,3-Bis(diphenylphosphino)propane nickel (II) chloride; [1,3-Bis(diphenylphosphino)propane]dichloronickel(II)
IUPAC Name
dichloronickel;3-diphenylphosphanylpropyl(diphenyl)phosphane
Canonical SMILES
C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Ni]Cl
InChI
InChI=1S/C27H26P2.2ClH.Ni/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h1-12,14-21H,13,22-23H2;2*1H;/q;;;+2/p-2
InChI Key
ZBQUMMFUJLOTQC-UHFFFAOYSA-L
Melting Point
213°C (dec.)(lit.)
Purity
> 98.0 % (T)
Appearance
Orange to brown to dark red powder to crystal

Safety Information

Hazards
H315 H317 H319 H334 H335 H350
Precautionary Statement
P201 P261 P280 P305+P351+P338 P308+P313

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
8
Exact Mass
540.024022 g/mol
Monoisotopic Mass
540.024022 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
32
Formal Charge
0
Complexity
353
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes

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The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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