Chloro(1-naphthyl)bis(triphenylphosphine)nickel(II)
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
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
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
6
Exact Mass
746.156895 g/mol
Monoisotopic Mass
746.156895 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
50
Formal Charge
2
Complexity
754
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
5
Compound Is Canonicalized
Yes
