Bis(triphenylphosphine)palladium(II) chloride

Catalog Number	ACM13965032-3
CAS	13965-03-2
Structure
Description	Bis(triphenylphosphine)palladium chloride is a coordination compound of palladium containing two triphenylphosphine and two chloride ligands. It is a yellow solid that is soluble in some organic solvents. It is used for palladium-catalyzed coupling reactions, e.g. the Sonogashira–Hagihara reaction. The complex is square planar. Both cis and trans isomers are known. Many analogous complexes are known with different phosphine ligands.
Synonyms	(Ph3P)2Pd(II)Cl2;Bis(triphenylphosphine)palladium Chloride;PdCl2(PPh3)2;trans-dichlorobis(triphenylphosphine)palladium (II);dichlorobis(triphenylphosphine)palladium(II)
IUPAC Name	palladium(2+);triphenylphosphane;dichloride
Molecular Weight	701.91
Molecular Formula	C36H30Cl2P2Pd
Canonical SMILES	C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl
InChI	InChI=1S/2C18H15P.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2*1-15H;2*1H;/q;+2/p-2
InChI Key	YNHIGQDRGKUECZ-UHFFFAOYSA-L
Melting Point	260ºC
Flash Point	181.7ºC
Purity	98%
Appearance	Yellow crystals
Complexity	204
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
EC Number	237-744-2;233-495-9
Exact Mass	700.02346
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
MDL Number	MFCD00009593
Monoisotopic Mass	700.02346
Rotatable Bond Count	6
Topological Polar Surface Area	0 Ų