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Bis[tris(4-(1H,1H,2H,2H-perfluorodecyl)phenyl)phosphine]palladium(II) dichloride

Bis[tris(4-(1H,1H,2H,2H-perfluorodecyl)phenyl)phosphine]palladium(II) dichloride

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Molecular Formula:

C96H48Cl2F102P2Pd

Molecular Weight:

3378.52

CAS Number:

326475-46-1

Catalog Number:

326475-46-1

Product Information

Molecular Formula:

C96H48Cl2F102P2Pd

Molecular Weight:

3378.52

Description

Catalyst for Stille and Suzuki couplings in Fluorous Biphase Systems (FBS).

Synonyms

1,1,1,2,2,3,3,4,4,5,5,8-dodecafluorooctane;tris[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane

IUPAC Name

dichloropalladium;tris[4-(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=C1CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)P(C2=CC=C(C=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=C(C=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.C(CC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CF

InChI

InChI=1S/C48H24F51P.C8H6F12/c49-25(50,28(55,56)31(61,62)34(67,68)37(73,74)40(79,80)43(85,86)46(91,92)93)16-13-19-1-7-22(8-2-19)100(23-9-3-20(4-10-23)14-17-26(51,52)29(57,58)32(63,64)35(69,70)38(75,76)41(81,82)44(87,88)47(94,95)96)24-11-5-21(6-12-24)15-18-27(53,54)30(59,60)33(65,66)36(71,72)39(77,78)42(83,84)45(89,90)48(97,98)99;9-3-1-2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)20/h1-12H,13-18H2;1-3H2

InChI Key

DIRZGJYLZNXQSU-UHFFFAOYSA-N

Melting Point

175-180 °C

Flash Point

Not applicable

Purity

≥ 80 % (AAS)

LogP

36.54960

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

2430

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(4-(1H,1H,2H,2H-perfluorodecyl)phenyl)phosphine]palladium(II) dichloride

Product Information

Computed Properties

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