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(Bicyclo[2.2.1]hepta-2,5-diene)dichloropalladium(II)

(Bicyclo[2.2.1]hepta-2,5-diene)dichloropalladium(II)

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Molecular Formula:

C7H8Cl2Pd

Molecular Weight:

269.46

CAS Number:

12317-46-3

Catalog Number:

12317-46-3

Product Information

Molecular Formula:

C7H8Cl2Pd

Molecular Weight:

269.46

Description

Catalyst for:• Aerobic kinetic resolution of secondary alcohols• Kinetic oxidative resolution of 1-phenyl ethanol• Oxidative kinetic resolution-Claisen rearrangement sequence• Aerobic oxidation of secondary alcohols

Synonyms

Dichloro (norbornadiene)palladium(II), NSC 176915, PdCl2(nbd)

IUPAC Name

bicyclo[2.2.1]hepta-2,5-dienedichloropalladium

Canonical SMILES

C1C2C=CC1C=C2.Cl[Pd]Cl

InChI

InChI=1S/C7H8.2ClH.Pd/c1-2-7-4-3-6(1)5-7;;;/h1-4,6-7H,5H2;2*1H;/q;;;+2/p-2

InChI Key

BNCRZJHZZCMDNP-UHFFFAOYSA-L

Boiling Point

89.5°C at 760mmHg

Melting Point

260°C (dec.)(lit.)

Purity

95%

Safety Information

Hazards

H315-H319-H335

Precautionary Statement

P261-P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

267.90379 g/mol

Monoisotopic Mass

267.90379 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

106

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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(Bicyclo[2.2.1]hepta-2,5-diene)dichloropalladium(II)

Product Information

Safety Information

Computed Properties

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