Bis[tris(3-(1H,1H,2H,2H-perfluorodecyl)phenyl)phosphine]palladium(II) dichloride
Product Information
Molecular Formula
C96H48Cl2F102P2Pd
Molecular Weight
3378.52
Description
Catalyst for Stille and Suzuki couplings in "Fluorous Biphase Systems" (FBS).
Synonyms
dichloropalladium;tris[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane
IUPAC Name
dichloropalladium;tris[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane
SMILES
C1=CC(=CC(=C1)P(C2=CC=CC(=C2)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C3=CC=CC(=C3)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.C1=CC(=CC(=C1)P(C2=CC=CC(=C2)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C3=CC=CC(=C3)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.Cl[Pd]Cl
InChI
InChI=1S/2C48H24F51P.2ClH.Pd/c2*49-25(50,28(55,56)31(61,62)34(67,68)37(73,74)40(79,80)43(85,86)46(91,92)93)13-10-19-4-1-7-22(16-19)100(23-8-2-5-20(17-23)11-14-26(51,52)29(57,58)32(63,64)35(69,70)38(75,76)41(81,82)44(87,88)47(94,95)96)24-9-3-6-21(18-24)12-15-27(53,54)30(59,60)33(65,66)36(71,72)39(77,78)42(83,84)45(89,90)48(97,98)99;;;/h2*1-9,16-18H,10-15H2;2*1H;/q;;;;+2/p-2
InChI Key
HIDVEVKTXQUVSJ-UHFFFAOYSA-L
Melting Point
140-145 °C
Flash Point
Not applicable
Purity
≥ 90 % (AAS)
LogP
43.92060
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
102
Rotatable Bond Count
60
Exact Mass
3377.00479 g/mol
Monoisotopic Mass
3376.00143 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
203
Formal Charge
0
Complexity
2460
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