dichloropalladium; bis(tris[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane)

• ChemBase ID: 158387
• Molecular Formular: C96H48Cl2F102P2Pd
• Molecular Mass: 3378.5189684
• Monoisotopic Mass: 3376.0014446
• SMILES: c1cc(cc(c1)P(c1cccc(c1)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)c1cccc(c1)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.c1cc(cc(c1)P(c1cccc(c1)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)c1cccc(c1)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
• Canonical SMILES: FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCc1cccc(c1)P(c1cccc(c1)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)c1cccc(c1)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)F.FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCc1cccc(c1)P(c1cccc(c1)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)c1cccc(c1)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)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
• InChIKey: HIDVEVKTXQUVSJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloropalladium; bis(tris[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane)
• IUPAC Traditional name: palladium chloride; bis(tris[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane)
• Synonyms: Bis[tris(3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl)phosphine]palladium(II) dichloride; Bis[tris(3-(1H,1H,2H,2H-perfluorodecyl)phenyl)phosphine]palladium(II) dichloride; 双[三(3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七氟癸基)苯基)膦]二氯化钯(II); 双[三(3-(1H,1H,2H,2H-全氟癸基)苯基)膦]二氯化钯(II)

Database IDs

• CAS Number: 343343-17-9
• MDL Number: MFCD03453274
• PubChem SID: 162252523
• PubChem CID: 15522323

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 26.6247
• LogD (pH = 7.4): 26.6247
• Log P: 26.6247
• Molar Refractivity: 225.9712 cm^3
• Polarizability: 83.95978 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 66
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 140-145 °C

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥90% (AAS)
• Grade: technical
• Empirical Formula (Hill Notation): C96H48Cl2F102P2Pd

DETAILS

Sigma Aldrich - 93521

Application
Catalyst for Stille and Suzuki couplings in "Fluorous Biphase Systems" (FBS)
Other Notes
Perfluoro-tagged Pd complexes for palladium-catalyzed Suzuki couplings in a fluorous biphasic system.1
Packaging
100, 500 mg in glass bottle