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[1,3-Bis(diphenylphosphino)propane]palladium(II) triflate

[1,3-Bis(diphenylphosphino)propane]palladium(II) triflate

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Molecular Formula:

C29H26F6O6P2PdS2

Molecular Weight:

817.00

CAS Number:

137846-38-9

Catalog Number:

137846-38-9

Product Information

Molecular Formula:

C29H26F6O6P2PdS2

Molecular Weight:

817.00

Description

Versatile palladium catalyst

Synonyms

Pd(OTf)2(dippp)

IUPAC Name

3-diphenylphosphanylpropyl(diphenyl)phosphanepalladium(2+)trifluoromethanesulfonate

Canonical SMILES

C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Pd+2]

InChI

InChI=1S/C27H26P2.2CHF3O3S.Pd/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-272*2-1(3,4)8(5,6)7/h1-12,14-21H,13,22-23H22*(H,5,6,7)/q+2/p-2

InChI Key

MIGUMLGJSGTNOK-UHFFFAOYSA-L

Melting Point

169-183 °C

Flash Point

Not applicable

Safety Information

Hazards

H302 + H312 + H332 - H315 - H319

Precautionary Statement

P280 - P301 + P312 + P330 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

815.95850 g/mol

Monoisotopic Mass

815.95850 g/mol

Topological Polar Surface Area

131Å²

Heavy Atom Count

Formal Charge

Complexity

494

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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[1,3-Bis(diphenylphosphino)propane]palladium(II) triflate

Product Information

Safety Information

Computed Properties

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