palladium(2+) ion bis(nitrooxidane) tetraamine

• ChemBase ID: 112800
• Molecular Formular: H12N6O6Pd
• Molecular Mass: 298.55188
• Monoisotopic Mass: 297.98531813
• SMILES: N.N.N.N.[Pd+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].N.N.N.N.[Pd+2]
• InChI: InChI=1S/2NO3.4H3N.Pd/c2*2-1(3)4;;;;;/h;;4*1H3;/q2*-1;;;;;+2
• InChIKey: WIDMMNCAAAYGKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: palladium(2+) ion bis(nitrooxidane) tetraamine; palladium(2+) ion tetraamine dinitrate
• IUPAC Traditional name: palladium(2+) ion tetraamine dinitronate; palladium(2+) ion tetraamine dinitrate
• Synonyms: PALLADIUM TETRAMMINE DINITRATE; Tetraamminedinitratopalladium; Tetraamminepalladium dinitrate; Tetraamminepalladium(II) nitrate solution; 四氨基硝酸钯 溶液; 四氨合硝酸钯(II)溶液

Database IDs

• CAS Number: 13601-08-6
• EC Number: 237-078-2
• MDL Number: MFCD00011591
• PubChem SID: 162097976; 24863500; 24866533
• PubChem CID: 166871

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8368004
• LogD (pH = 7.4): 0.8368004
• Log P: 0.8368004
• Molar Refractivity: 8.3471 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 66.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Density: 1.03 g/mL at 25 °C; 1.04 g/mL at 25 °C
• Refractive Index: n20/D 1.348

Safety Information

• European Hazard Symbols: Nature polluting (N); Oxidising (O); Irritant (Xi)
• UN Number: UN3218
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: III
• Risk Statements: 1-8-36/37/38; 5-8-43-44-51/53; R:8
• Safety Statements: 17-26-36; 23-24-26-37-57-60; 26; S:14-17-26-28
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H272-H319-H317-H303-H411; H315-H319
• GHS Precautionary statements: P221-P210-P305+P351+P338-P302+P352-P321-P501A; P305 + P351 + P338

Product Information

• Purity: 99.9% (metals basis), Pd 5.0% max (cont. Pd); 99.99%
• Concentration: 10 wt. % in H2O
• Linear Formula: Pd(NH3)4(NO3)2

DETAILS

MP Biomedicals - 05225897

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 423823

Packaging
1, 10 g in poly bottle

Sigma Aldrich - 377384

Application
Precursor to heterogeneous platinum catalysts for isomerizing unfunctionalized alkanes.
Used to prepare a Pd/TS-1 catalyst for the in situ generation of H2O2 and subsequent oxidation of propylene to propylene oxide.1
Packaging
5, 25 mL in glass bottle