Chloro(cyclopentadienyl)(triphenylphosphine)nickel(II)

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Product Information

Molecular Formula:
C23H20ClNiP
Molecular Weight:
421.53
Description
Reactant for synthesis of:• Nickel alkynyl and allenylidene complexes• Organometallic complexes for nonlinear opticsReactant for insertion of decamethylsilicocene in nickel-choline bonds
Synonyms
Chloro(cyclopentadienyl)(triphenylphosphine)nickel(II), 97%
Canonical SMILES
C1=C[CH]C=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ni]
InChI
InChI=1S/C18H15P.C5H5.ClH.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-181-2-4-5-3-1/h1-15H1-5H1H/q+1/p-1
InChI Key
PMWXBCDXVGNPAN-UHFFFAOYSA-M
Melting Point
175 °C (dec.) (lit.)
Flash Point
Not applicable
Purity
97%

Safety Information

Hazards
H302 + H312 + H332
Precautionary Statement
P280 - P301 + P312 + P330 - P302 + P352 + P312 - P304 + P340 + P312

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
3
Exact Mass
420.034457 g/mol
Monoisotopic Mass
420.034457 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
242
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
3
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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