Palladium - 10% on activated carbon, Pearlman(50-70% wetted powder ) , CAS No.7440-05-3

CAS: 7440-05-3 Cat. No.: P282895 分子式: Pd 分子量: 106.42 EC番号: 231-115-6

グレード＆純度 10% on activated carbon, Pearlman(50-70% wetted powder )

Synonyms

Palladium AA Standard: Pd @ 1000 microg/mL in 20% HCl | UNII-5TWQ1V240M | Palladium Black | Palladium wire, 0.25mm (0.01in) dia | palladium-on-carbon | paladio | palladium-on-silica | MFCD03613605 | Palladium sponge | Palladium, element | 10% Palladium on

Storage

Room temperature,Desiccated

Shipped In

Normal

仕様

同義語

Palladium AA Standard: Pd @ 1000 microg/mL in 20% HCl | UNII-5TWQ1V240M | Palladium Black | Palladium wire, 0.25mm (0.01in) dia | palladium-on-carbon | paladio | palladium-on-silica | MFCD03613605 | Palladium sponge | Palladium, element | 10% Palladium on

仕様と純度

10% on activated carbon, Pearlman(50-70% wetted powder )

法的情報

Sold in collaboration with Evonik for research purposes only. Evonik Heterogeneous Catalyst Kit component. Evonik Heterogeneous Palladium Catalyst Kit component.

保管条件

Room temperature,Desiccated

入荷

Normal

名前と識別子

カノニカル・スマイル

[Pd]

IUPAC Name

palladium

InChIKey

KDLHZDBZIXYQEI-UHFFFAOYSA-N

INCHI

1S/Pd

異性体SMILES

[Pd]

WGKドイツ

nwg

分子量

106.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Homogeneous metal compounds
    • 分類 Homogeneous transition metal compounds

• Kingdom: Inorganic compounds
• Superclass: Homogeneous metal compounds
• 分類: Homogeneous transition metal compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Homogeneous transition metal compounds
• Alternative Parents: Not available
• Molecular Framework: Not available
• Substituents: Homogeneous transition metal
• 説明: This compound belongs to the class of inorganic compounds known as homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom.
• External Descriptors: platinum group metal atom - nickel group element atom

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 沸点（°C）: 2970 °C
• 融点（°C）: 1554 °C
• 分子量: 106.420 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 105.903 Da
• Monoisotopic Mass: 105.903 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 1
• Formal Charge: 0
• Complexity: 0.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3

Application Protocols

Not applicable. No immunoassay or bioassay protocols (e.g., WB, IHC, IF, FC) are associated with elemental palladium. For catalytic uses, refer to the Reaction Conditions and Synthetic Utility sections for general guidance, and consult the primary literature for substrate-specific protocols.

Biological Roles

No physiological role is established for elemental palladium in living systems. The following points provide general biochemical context (literature):

• Essentiality: Palladium is not an essential element for organisms; there are no known Pd-dependent enzymes.
• Toxicology context: Palladium ions (especially from soluble salts) can bind thiol- and amine-rich biomolecules, potentially inhibiting enzymes and provoking hypersensitivity. Elemental Pd metal is far less bioavailable but may release ions under corrosive conditions.
• Bioorthogonal/biohybrid catalysis: Pd catalysts have been explored for in situ deprotection and bond-forming reactions in cellular environments, leveraging the relative inertness of Pd(0) nanoparticles and localized catalysis. These are research concepts and not therapeutic claims.
• Interaction with biomolecules: Strong affinity for sulfur-containing ligands (cysteine, glutathione) and nitrogen donors; relevant to both detoxification and catalyst poisoning in bioprocess settings.

Applications interface

• Residual Pd in pharmaceutical intermediates is tightly controlled due to potential toxicity; robust workups and scavenging are employed to reduce Pd to trace levels (manufacturing consideration, not a clinical claim).

Note: For research use only, as per Product Data.

Buffer Applications

Elemental palladium is not a buffering agent and does not participate in classical acid–base buffer systems. If Pd is used in bioconjugation or bioorthogonal catalysis research, select buffers that minimize catalyst poisoning (avoid high concentrations of thiols, cyanides, EDTA, or sulfides). Phosphate or carbonate buffers with minimal thiol content are commonly chosen in such exploratory studies (literature guidance). For conventional pH buffering needs, refer to dedicated buffering reagents.

Green Alternatives

Palladium-enabled transformations can be executed more sustainably by adjusting solvent/base/catalyst systems, minimizing Pd loading, and, when feasible, using base-metal alternatives. Tradeoffs are summarized below (literature guidance).

Greener approaches within Pd catalysis

• Aqueous or micellar media: Surfactant-enabled couplings (e.g., in water) reduce organic solvent use; often enable ppm-level Pd loadings.
• Bio-derived solvents: Ethanol, 2-MeTHF, CPME can replace DMF/dioxane/toluene in many couplings and hydrogenations.
• Heterogeneous catalysts and flow: Supported Pd (on carbon, silica, alumina, polymers) in continuous flow simplifies separation and enables catalyst reuse, reducing metal footprint.
• Ligand economy: Bulky, electron-rich ligands (e.g., BrettPhos, SPhos, XPhos) permit very low catalyst loadings, minimizing residual Pd in products.

Base-metal alternatives (when compatible)

• Nickel or copper catalysis can replace Pd in some Suzuki, Buchwald–Hartwig, and Ullmann-type couplings, though with different substrate scope and functional group tolerance.

Comparison (typical tradeoffs)

• Pd in water/ethanol: Lower EHS burden; may require specialized surfactants; sometimes slower at scale.
• Pd in polar aprotics (DMF/DMAc): Robust and fast; higher EHS and regulatory concerns.
• Ni/Cu alternatives: Lower criticality and cost; can increase air-sensitivity and side reactions.

Recovery/recycling

• Implement Pd scavenging (thioureas, resins) and precious-metal recovery from mother liquors and spent catalysts to close the loop.

Pharmaceutical Uses

This product is for research use only. Elemental palladium is not an excipient.

Manufacturing/processing context (literature and regulatory guidance):

• Catalyst for API synthesis: Pd-catalyzed cross-couplings and hydrogenations are ubiquitous in small-molecule API routes. Elemental Pd may be converted to Pd salts/complexes for homogeneous catalysis or used as supported heterogeneous catalysts.
• Residual metal control: ICH Q3D classifies palladium among the platinum-group metals with defined PDE limits. Process design includes low Pd loadings, highly active ligands, and effective metal scavenging to meet limits.
• Purification strategies: Filtration of heterogeneous catalysts, adsorption on scavenger resins (e.g., silica–thiol, polystyrene–thiourea), and crystallization purge are standard.
• Documentation: GMP environments require trace-metal analytics (ICP-MS/OES) with validated methods; suppliers may provide metals-basis assays and impurity profiles on CoA.

Item-specific pharmacopeial status or grades: Not specified for this item; refer to CoA/Spec Sheet.

Physical Properties

Item-specific values are not provided in the Product Data for this SKU. Consult the CoA/Spec Sheet for supplied form, particle size, and any metals-basis assay.

Representative literature/handbook data for elemental palladium (for general laboratory planning only):

• Appearance: Silvery-white metal (literature). Actual item appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point: ~1555 °C (literature).
• Boiling point: ~2963 °C (literature).
• Density: ~12.0 g/cm³ at 20 °C (literature; fcc metal).
• Electrical resistivity: ~10.8 μΩ·cm at 20 °C (literature).
• Thermal conductivity: ~72 W·m⁻¹·K⁻¹ (literature).
• Magnetic behavior: Paramagnetic/diamagnetic weak; effectively nonmagnetic in routine handling (literature).
• Solubility: Insoluble in water and most solvents; dissolves in aqua regia and oxidizing halide acid media forming Pd(II) chloro-complexes (literature).
• Surface reactivity: Absorbs significant volumes of H2; forms PdHx under H2 pressure/low temperature (literature).
• Work function: ~5.6 eV (literature), relevant for electrochemistry and supported-catalyst design.

Notes for practitioners

• Catalytic performance is dominated by surface area, crystallite size, and adventitious surface oxides/chlorides. If particle size, surface area (BET), or sponge vs powder are critical, verify on the CoA/Spec Sheet for this item.

Quality and Grades

Item-specific grade/purity details are not provided in the Product Data for this SKU. Please consult the CoA/Spec Sheet for assay (e.g., metals basis %), trace metal profile, particle size, and physical form.

Context on common palladium grades (general guidance):

• Metals basis assay (e.g., 99.9%, 99.95%): Indicates the sum of metallic impurities subtracted from 100%. Higher assay is favored for trace-metal-sensitive catalysis and electronic uses.
• Catalysis grade vs. electronic grade: Catalysis grade emphasizes low S, P, Pb, As, and Fe (which can poison catalysts). Electronic grade targets ultra-low magnetic and alkali impurities.
• Physical form: Sponge (high surface area), powder (defined particle size), foil/wire (bulk). Catalytic activity generally increases with surface area; mechanical robustness decreases.
• Stabilizers: Elemental palladium is typically sold neat without stabilizers. If any surface treatments or supports (e.g., Pd/C, Pd/Al2O3) are present, they will be specified on the label/CoA.
• Documentation: CoA typically lists assay, key trace metals, ignition loss, and sometimes BET surface area for high-area forms. For chromatography or pharmaceutical manufacture, request impurity profiles aligned with ICH Q3D expectations.

For this item (P282895):

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.

Reaction and Applications

Palladium is the preeminent transition metal for carbon–carbon and carbon–heteroatom bond formation and for selective hydrogenations. While this SKU is elemental Pd, it serves as a heterogeneous catalyst itself (e.g., hydrogenations, dehydrogenations) or as feedstock for preparing Pd salts/complexes.

Key application families (literature):

• Cross-coupling (via Pd(0)/Pd(II) cycle): Suzuki–Miyaura, Heck, Sonogashira, Negishi, Stille, Kumada, Hiyama, and Buchwald–Hartwig amination. Elemental Pd is commonly converted to PdCl2 or Pd(OAc)2, then to ligated Pd(0) precatalysts.
• Hydrogenation/dehydrogenation: Alkenes, alkynes, nitro groups, imines; selective semi-hydrogenations (e.g., alkyne to Z-alkene) using modified supports/poisons.
• Oxidations: Wacker oxidation (PdCl2/CuCl/O2) of alkenes to ketones/aldehydes; aerobic alcohol oxidations with nitroxyl cocatalysts (e.g., TEMPO).
• C–H activation: Directed arylations/alkylations under Pd(II)/Pd(IV) conditions.
• Carbonylations: Carbonylative couplings under CO.

Practical notes

• Surface pretreatment of Pd metal (H2 activation, oxide removal) can markedly affect activity. Gentle hydrogen pre-treatment at RT–50 °C often cleans surface oxides.
• For homogeneous chemistry, prepare stock solutions of Pd complexes from purified Pd salts; rigorously exclude sulfur- or cyanide-containing contaminants that poison Pd.
• Monitor for Pd leaching in heterogeneous processes; use scavengers or hot filtration tests to diagnose true heterogeneity.

Reaction Conditions

The following representative conditions are literature guidance for common Pd-enabled reactions. Optimize for each substrate set.

• Suzuki–Miyaura coupling: 0.05–1.0 mol% Pd (e.g., Pd(PPh3)4, Pd-PEPPSI, or in situ Pd2(dba)3/ligand). Bases: K2CO3, K3PO4, Cs2CO3, NaOH. Solvents: toluene/EtOH/H2O mixtures, dioxane, DMF, or water with surfactants. Temperature: 25–100 °C. Typical yields: 70–99%.
• Buchwald–Hartwig amination: 0.1–2 mol% Pd (e.g., Pd2(dba)3 + BrettPhos/SPhos/XPhos). Bases: NaOtBu, K3PO4, Cs2CO3. Solvents: toluene, dioxane, t-AmylOH, CPME. 50–120 °C; 60–95% yields.
• Heck reaction: 0.1–1 mol% Pd (e.g., Pd(OAc)2/PPh3 or NHCs). Bases: Et3N, DIPEA, K2CO3. Solvents: DMF, NMP, DMSO, ionic liquids, or greener EtOH/H2O. 80–140 °C.
• Sonogashira (copper-free): 0.1–1 mol% Pd (Pd(PPh3)2Cl2 + ligand). Base: amines or carbonates. Solvents: amine solvents, THF/Et3N, DMAc. 25–80 °C.
• Hydrogenation over Pd metal: Substrate-saturated solutions in EtOH/MeOH/AcOEt/i-PrOH; H2 1–10 bar (or balloon at small scale), RT–60 °C. Catalyst loadings depend on support and substrate; monitor for exotherms.
• Wacker oxidation: PdCl2/CuCl in aqueous MeCN or water with chloride; O2 or air as terminal oxidant; 0–60 °C.

Notes

• Trace water, halides, and sulfur species can dramatically affect rates. Degas as needed; consider ppm-level catalysis with advanced ligands. Always validate metal content in API settings.

Safety and Handling

Hazard classifications and statements are not provided in the Product Data for this SKU. Always consult the SDS for authoritative safety information for the exact supplied form (powder, sponge, foil).

General safety guidance for elemental palladium (literature/industry practice):

• GHS: Bulk metal is often not classified as hazardous; fine powders may be mechanically irritating to eyes/respiratory tract. Some jurisdictions classify fine metal powders as combustible dusts. SDS prevails.
• Sensitization: Palladium salts are known sensitizers; prolonged skin contact with finely divided metal may cause dermatitis in sensitized individuals (literature).
• Incompatibilities: Avoid contact with strong oxidizers and aqua regia/nitrosyl chloride systems unless intentionally dissolving Pd (toxic NOx/Cl2, heat). Avoid halogen-charged acids if corrosion is a concern.
• Special risks: Finely divided metal can catalyze exothermic hydrogenations; Pd-on-carbon is especially prone to ignition when exposed to air after H2 service. While bulk Pd is not pyrophoric, treat spent catalysts as potentially self-heating.
• PPE: Safety glasses, lab coat, and appropriate gloves. Use dust control and local exhaust ventilation when handling powders.
• First aid (overview; defer to SDS): Rinse eyes/skin with water if exposed to dust; move to fresh air if inhaled; seek medical attention if symptoms persist.
• Waste: Collect Pd-containing wastes for precious-metal recovery. Do not dispose to drain; follow institutional and regulatory guidance.

Solvent Selection

Elemental palladium is an insoluble solid and is not “dissolved” for routine use; thus, classical solvent selection for solubility is not directly applicable. Instead, solvent choice pertains to the intended catalytic or dissolution process.

Catalysis media (general guidance, literature):

• Cross-coupling with homogeneous Pd: Common solvents include toluene, dioxane, THF, DMF/DMAc, MeCN, tert-amyl alcohol, water or water/organic mixtures with phase-transfer or micellar systems.
• Heterogeneous hydrogenations (Pd metal or Pd/C): Alcohols (MeOH, EtOH, i-PrOH), acetic acid, ethyl acetate, and water are routine; avoid neat chlorinated solvents under H2 where possible.
• Oxidations (Wacker-type with Pd salts): Aqueous alcohols or polar aprotics with chloride support.

Dissolution/etching (only when intentionally converting metal):

• Aqua regia or chloride-rich oxidizing acids dissolve Pd to give Pd(II) chloro-complexes. This is a hazardous operation; use only with proper engineering controls.

Selection tips

• For C–C/C–N couplings, match solvent to base and ligand set (e.g., aqueous K2CO3 with PEGylated surfactants; toluene/1,4-dioxane for bulky phosphines).
• For green chemistry aims, consider water, ethanol, or 2-MeTHF and micellar systems when compatible with the substrate and catalyst.

Storage and Reconstitution

Storage conditions (item-specific, from Product Data):

• Store at room temperature, desiccated, and cool. Ship under normal conditions.

General handling guidance for elemental palladium (literature/industry practice):

• Keep container tightly closed to limit moisture and airborne contaminants that can passivate or poison catalytic surfaces.
• Avoid contact with halogen-rich oxidizing acids (e.g., aqua regia) unless intentional dissolution is required.
• For powders/sponges: Minimize dust generation; handle under inert gas if long-term catalytic surface activity must be preserved.
• After hydrogenations (especially with supported Pd), spent catalysts can be self-heating upon air exposure. Quench and store damp/inert per institutional SOPs prior to disposal or recovery.

Reconstitution: Not applicable. Elemental palladium is supplied as a solid; no reconstitution is required. If preparing solutions of Pd salts/complexes, follow the specific complex’s preparation and storage instructions (light sensitivity, air sensitivity, solvent choice) and consult the corresponding SDS/CoA.

Structure and Identity

Elemental palladium (Pd) is a Group 10 transition metal used extensively as a heterogeneous and precursor to homogeneous catalysts.

• SKU: P282895
• Product name: Palladium
• CAS: 7440-05-3; PubChem CID: 23938
• InChIKey (as provided): 177202
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight (item-specific): Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general description)

• Elemental solid with a face-centered cubic (fcc) lattice (literature).
• Zero-valent metal; common catalytic oxidation states accessible via surface chemistry and complexes: Pd(0)/Pd(II) cycle predominates in cross-coupling; Pd(II)/Pd(IV) manifolds also known (literature).
• Surface readily chemisorbs hydrogen and unsaturated organics; forms hydrides PdHx under H2 (literature).

2D/“line” description in words

• A single-atom element; no discrete molecular structure. Bulk structure is a repeating fcc metallic lattice of palladium atoms (literature).

Identification notes

• Elemental identity confirmed by XRF/ICP-OES elemental analysis and diffraction (XRD) for phase purity; particle form (powder, sponge, foil) affects surface area and catalytic behavior (general guidance).

Synthetic Utility

Elemental palladium underpins a wide array of synthetic transformations by serving either as the active heterogeneous catalyst or as the precursor to soluble Pd complexes.

Key reactivity domains (literature):

• C–C bond formation: Suzuki–Miyaura (aryl/alkenyl boron partners), Heck (aryl/vinyl halides with alkenes), Sonogashira (terminal alkynes), Negishi (organozincs), Stille (organostannanes), Kumada (Grignards), Hiyama (silanes).
• C–N/C–O/C–S coupling: Buchwald–Hartwig amination, Ullmann-type variants accelerated by Pd, and coupling to phenols/thiols with appropriate ligands.
• Redox transformations: Selective hydrogenations, dehalogenations, transfer hydrogenations; Wacker oxidation of alkenes.
• C–H activation/functionalization: Direct arylation/alkylation under directing groups; late-stage diversification.

Retrosynthetic value

• Enables convergent assembly of complex scaffolds from readily available aryl/vinyl electrophiles and nucleophiles. Broad functional group tolerance and predictable transmetalation pathways streamline route design.

Practical considerations

• Choose ligands (phosphines, NHCs) to balance oxidative addition, transmetalation, and reductive elimination. Base and solvent strongly influence turnover.
• Monitor and minimize Pd contamination in downstream steps; integrate scavenging and robust workups early in route scouting.

Target Specificity

Not applicable. This product is an elemental metal reagent, not a biologic or affinity reagent. No antigen/epitope, clone, isotype, or species reactivity applies.

よくある質問

How should this product be stored?

Store in a cool place, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 7440-05-3, the molecular formula is Pd, and the molecular weight is 106.42 g/mol. InChIKey KDLHZDBZIXYQEI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.