Bis(benzonitrile)palladium(II) chloride
Product Information
Molecular Formula
C14H10Cl2N2Pd
Molecular Weight
383.57
Description
Catalyst for greener amine synthesis from terminal olefins by Wacker oxidation followed by transfer hydrogenation of the resultant imine.Formal anti-Markovnikov hydroamination of terminal olefins
Synonyms
PALLADIUM(II) CHLORIDE BIS(BENZONITRILE) COMPLEX; TRANS-DICHLOROBIS-(BENZONITRILO)-PALLADIUM; TRANS-BIS(BENZONITRILE)DICHLOROPALLADATE (II); TRANS-BIS(BENZONITRILE)DICHLOROPALLADIUM(II); BIS(BENZONITRILE)DICHLOROPALLADIUM(II); Bis(benzonitrile)palladium chlor
IUPAC Name
benzonitriledichloropalladium
SMILES
C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.Cl[Pd]Cl
InChI
InChI=1S/2C7H5N.2ClH.Pd/c2*8-6-7-4-2-1-3-5-7;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
InChI Key
WXNOJTUTEXAZLD-UHFFFAOYSA-L
Boiling Point
191.1°C at 760 mmHg
Melting Point
131°C
Flash Point
Not applicable
Purity
>95.0%(T)
Appearance
Yellow to brown powder
Storage
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Storage under a nitrogen blanket has been recommended.
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
381.92558 g/mol
Monoisotopic Mass
381.92558 g/mol
Topological Polar Surface Area
47.6Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
106
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
