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2-[Di(2-methoxyphenyl)phosphino]benzenesulfonic acid

2-[Di(2-methoxyphenyl)phosphino]benzenesulfonic acid

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Molecular Formula:

C20H19O5PS

Molecular Weight:

402.40

CAS Number:

257290-43-0

Catalog Number:

257290-43-0

Product Information

Molecular Formula:

C20H19O5PS

Molecular Weight:

402.40

Description

Phosphinosulfonate ligand used with Pd and Ni to make polymerization catalysts.

Synonyms

Benzenesulfonic acid, 2-[bis(2-methoxyphenyl)phosphino]-; 2-(Bis(2-methoxyphenyl)phosphino)benzenesulfonic acid; 2-bis(2-methoxyphenyl)phosphanylbenzenesulfonic Acid; SCHEMBL1486821; DTXSID80458565; ZINC97944309; 2-Sulfophenylbis(2-methoxyphenyl)phosphine; 2-[bis(2-methoxy-phenyl)phosphanyl]-benzenesulfonic acid; 2-[Di(2-methoxyphenyl)phosphino]benzenesulfonic acid, 97%

IUPAC Name

2-bis(2-methoxyphenyl)phosphanylbenzenesulfonic acid

Canonical SMILES

COC1=CC=CC=C1P(C2=CC=CC=C2OC)C3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C20H19O5PS/c1-24-15-9-3-5-11-17(15)26(18-12-6-4-10-16(18)25-2)19-13-7-8-14-20(19)27(21,22)23/h3-14H,1-2H3,(H,21,22,23)

InChI Key

QFWGCBLAZRYGIG-UHFFFAOYSA-N

Melting Point

120-133 °C

Flash Point

Not applicable

Purity

97%

Computed Properties

XLogP3

3.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

402.06908187 g/mol

Monoisotopic Mass

402.06908187 g/mol

Topological Polar Surface Area

81.2Å²

Heavy Atom Count

Formal Charge

Complexity

539

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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2-[Di(2-methoxyphenyl)phosphino]benzenesulfonic acid

Product Information

Computed Properties

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