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Bis[tris(3-(1H,1H,2H,2H-perfluorodecyl)phenyl)phosphine]palladium(II) dichloride

Bis[tris(3-(1H,1H,2H,2H-perfluorodecyl)phenyl)phosphine]palladium(II) dichloride

Inquiry

Molecular Formula:

C96H48Cl2F102P2Pd

Molecular Weight:

3378.52

CAS Number:

343343-17-9

Catalog Number:

343343-17-9

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

Canonical 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

Hydrogen Bond Acceptor Count

102

Rotatable Bond Count

Exact Mass

3377.00479 g/mol

Monoisotopic Mass

3376.00143 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

203

Formal Charge

Complexity

2460

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Bis[tris(3-(1H,1H,2H,2H-perfluorodecyl)phenyl)phosphine]palladium(II) dichloride

Product Information

Computed Properties

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