TRIS(3,3,3"-PHOSPHINIDYNETRIS(BENZENES

Inquiry

Molecular Formula:

C54H45O27P3PdS9??·9Na??·9H2O

Molecular Weight:

1982.89

CAS Number:

176483-72-0

Catalog Number:

176483-72-0

Product Information

Molecular Formula:

C54H45O27P3PdS9??·9Na??·9H2O

Molecular Weight:

1982.89

Description

Tris(3,3',3″-phosphinidynetris(benzenesulfonato)palladium(0) nonasodium salt nonahydrate (Pd-TPPTS complex) supported by layered double hydroxide (LDH) can be used as an efficient catalyst in the cycloisomerization of acetylenic carboxylic acids to the corresponding 5-membered heterocycles.

Synonyms

Nonasodium; 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; palladium; nonahydrate; Tris(3,3',3"-phosphinidynetris(benzenesulfonato)palladium(0) nonasodium salt nonahydrate; Tris(3,3',3"-phosphinidynetris(benzenesulfonato)palladium(0)nonasodiumsaltnonahydrate; Tris(3,3',3''-phosphinidynetris(benzenesulfonato)palladium(0) nonasodium salt nonahydrate; TRIS(3,3,3"-PHOSPHINIDYNETRIS(BENZENES

IUPAC Name

nonasodium3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonatepalladiumnonahydrate

Canonical SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Pd]

InChI

InChI=1S/3C18H15O9PS3.9Na.9H2O.Pd/c3*19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27/h3*1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27)9*1H2/q9*+1/p-9

InChI Key

RZJLWYKBARRAJM-UHFFFAOYSA-E

Melting Point

>300 °C (lit.)

Flash Point

Not applicable

Appearance

orange to brown solid

Storage

2-8°C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

1971.72081 g/mol

Monoisotopic Mass

1971.72081 g/mol

Topological Polar Surface Area

599Å²

Heavy Atom Count

112

Formal Charge

Complexity

768

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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TRIS(3,3,3"-PHOSPHINIDYNETRIS(BENZENES

Product Information

Computed Properties

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