chempirical

Bis(triphenylphosphine)palladium diacetate

C40H36O4P2PdCAS 14588-08-0749.09 g/mol

Open in Covalent MOL file
OO−OO−Pd2+PP
Carboxylic acidPhosphine

Properties

Molecular formula
C40H36O4P2Pd
Molar mass
749.09 g/mol
Exact mass
748.1124 Da
logP
4.40Crippen estimate
Polar surface area
80.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
14588-08-0
SMILES
CC(=O)[O-].CC(=O)[O-].[Pd+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIKey
UVBXZOISXNZBLY-UHFFFAOYSA-L
InChI
InChI=1S/2C18H15P.2C2H4O2.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2(3)4;/h2*1-15H;2*1H3,(H,3,4);/q;;;;+2/p-2

Weigh it out

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Names and synonyms

8 names
  • Palladium, bis(acetato-κO)bis(triphenylphosphine)-
  • Palladium, bis(acetato)bis(triphenylphosphine)-
  • Palladium, bis(acetato-O)bis(triphenylphosphine)-
  • Bis(acetato)bis(triphenylphosphine)palladium
  • Diacetoxybis(triphenylphosphine)palladium
  • Bis(triphenylphosphine)palladium(II) acetate
  • Bis(triphenylphosphine)diacetatopalladium
  • Bis(triphenylphosphinepalladium) acetate

Work with Bis(triphenylphosphine)palladium diacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bis(triphenylphosphine)palladium chloride13965-03-250 % similar Ethyltriphenylphosphonium acetate35835-94-047 % similar Aluminium triacetate139-12-845 % similar Triphenylphosphine603-35-044 % similar 1,4-Bis(diphenylphosphino)benzene1179-06-243 % similar (SP-4-2)-Carbonyl(2,4-pentanedionato-κO2,κO4)(triphenylphosphine)rhodium25470-96-643 % similar Phenylmercury acetate62-38-443 % similar Fentin acetate900-95-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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