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Palladium(II)[1,3-bis(diphenylphosphino)propane]-bis(benzonitrile)-bis-tetrafluoroborate

Palladium(II)[1,3-bis(diphenylphosphino)propane]-bis(benzonitrile)-bis-tetrafluoroborate

Inquiry

Molecular Formula:

C41H36B2F8N2P2Pd

Molecular Weight:

898.71

CAS Number:

175079-12-6

Catalog Number:

175079-12-6

Product Information

Molecular Formula:

C41H36B2F8N2P2Pd

Molecular Weight:

898.71

Description

Catalyst for:• Synthesis of a photopatternable pentacene precursor• Diels-Alder reactions of dienes with aldehydes
Pd catalyst for Diels-Alder reactions.

Synonyms

[Pd(dppp)(PhCN)2](BF4)2

IUPAC Name

benzonitrile3-diphenylphosphanylpropyl(diphenyl)phosphanepalladium(2+)ditetrafluoroborate

Canonical SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Pd+2]

InChI

InChI=1S/C27H26P2.2C7H5N.2BF4.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*8-6-7-4-2-1-3-5-72*2-1(3,4)5/h1-12,14-21H,13,22-23H22*1-5H/q2*-1+2

InChI Key

VCESXCUPOICDRS-UHFFFAOYSA-N

Safety Information

Hazards

H314

Precautionary Statement

P280-P305 + P351 + P338-P310

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

898.14469 g/mol

Monoisotopic Mass

898.14469 g/mol

Topological Polar Surface Area

47.6Å²

Heavy Atom Count

Formal Charge

Complexity

472

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

Patents

Publication Number	Title	Priority Date
KR-20220003875-A	Composition for removing palladium compound and method for removing palladium compound	2020-07-02
WO-2021062035-A1	Luminescent materials and methods thereof	2019-09-27
US-2020392148-A1	Chemosensor and a method of detecting palladium ions	2019-06-12
US-11124522-B2	Chemosensor and a method of detecting palladium ions	2019-06-12
CN-107153082-A	A kind of nanochannel film of surface modification and preparation method and application	2016-03-04
CN-107153082-B	A kind of nanochannel film of surface modification and the preparation method and application thereof	2016-03-04
CA-2991421-A1	A two-step process for preparing 3-substituted phenylalkylamines	2015-07-10
US-2017008832-A1	Two-step process for preparing 3-substituted phenylalkylamines	2015-07-10
US-9914695-B2	Two-step process for preparing 3-substituted phenylalkylamines	2015-07-10
EP-3319941-B1	A two-step process for preparing 3-substituted phenylalkylamines	2015-07-10

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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