calcium palladium(2+) ion dicarbonate

• ChemBase ID: 144866
• Molecular Formular: C2CaO6Pd
• Molecular Mass: 266.5158
• Monoisotopic Mass: 265.8355647
• SMILES: C(=O)([O-])[O-].C(=O)([O-])[O-].[Ca+2].[Pd+2]
• Canonical SMILES: [O-]C(=O)[O-].[O-]C(=O)[O-].[Ca+2].[Pd+2]
• InChI: InChI=1S/2CH2O3.Ca.Pd/c2*2-1(3)4;;/h2*(H2,2,3,4);;/q;;2*+2/p-4
• InChIKey: XGLHAVVVUOEGIO-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium palladium(2+) ion dicarbonate
• IUPAC Traditional name: calcium palladium(2+) ion dicarbonate
• Synonyms: Palladium on calcium carbonate; 碳酸钙负载钯

Database IDs

• MDL Number: MFCD03427452
• PubChem SID: 24886924; 24852830; 24886923; 162239078; 24852343
• PubChem CID: 17803853

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Auto Ignition Point: >1120 °F

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• German water hazard class: nwg
• Risk Statements: 61-20/22-33-50/53-62
• Safety Statements: 53-36/37-45-61
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H315-H319; H360Df-H373-H410
• GHS Precautionary statements: P201-P273-P308 + P313-P501; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ~10% Pd basis; 5% Pd basis
• Extent of Labeling: 5 wt. % loading
• Linear Formula: Pd

DETAILS

Sigma Aldrich - 214353

Packaging
10, 50 g in glass bottle
Application
Catalyst for:
• Aqueous Heck coupling and hydroarylation1
• Reduction reactions2
• Hydrogenation reactions3

Sigma Aldrich - 205737

Application
Lindlar catalyst
Catalyst for:
• Aqueous Heck coupling and hydroarylation1
• Reduction reactions2
• Hydrogenation reactions3
Packaging
1, 10, 50 g in glass bottle

Sigma Aldrich - 76030

Application
Hydrogenation catalyst
Catalyst for:
• Aqueous Heck coupling and hydroarylation1
• Reduction reactions2
• Hydrogenation reactions3
Packaging
10 g in glass bottle

Sigma Aldrich - 76032

Application
Hydrogenation catalyst
Catalyst for:
• Aqueous Heck coupling and hydroarylation1
• Reduction reactions2
• Hydrogenation reactions3
Packaging
10 g in glass bottle