Palladium - 5% on alumina powder,reduced,dry , CAS No.7440-05-3

CAS: 7440-05-3 Cat. No.: P282919 Formula: Pd Molecular Weight: 106.42 EC Number: 231-115-6

GRADE & PURITY 5% on alumina powder,reduced,dry

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

Specifications

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

Specifications & Purity

5% on alumina powder,reduced,dry

Legal Information

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

Storage

Room temperature,Desiccated

Shipped In

Normal

Names and Identifiers

Canonical Smiles

[Pd]

IUPAC Name

palladium

InChIKey

KDLHZDBZIXYQEI-UHFFFAOYSA-N

INCHI

1S/Pd

Isomeric SMILES

[Pd]

WGK Germany

nwg

Molecular Weight

106.42

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Inorganic compounds
• Superclass: Homogeneous metal compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Boil Point(°C): 2970 °C
• Melt Point(°C): 1554 °C
• Molecular Weight: 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 for assay formats (e.g., WB, IHC, IF, FC). For synthetic and catalytic uses, follow reaction‑specific procedures from the primary literature or validated internal SOPs. See Reaction Conditions for representative guidance and adjust to the physical form/particle size of the supplied metal.

Biological Roles

Elemental palladium has no known essential biological role in humans or common model organisms.

• Literature context (general; not item‑specific)

  • Biochemical interaction: Pd(II) ions (formed from dissolution or leaching) can coordinate to proteins and nucleic acids via donor atoms (S, N), potentially inhibiting enzymes or altering biomolecular structure, but such interactions are typically studied for mechanistic or material‑bioconjugation purposes rather than physiology.
  • Catalysis in aqueous media: Pd nanoparticles and soluble Pd complexes catalyze bio‑orthogonal reactions (e.g., deprotection, late‑stage functionalization) under mild aqueous conditions, but these are laboratory methodologies, not biological functions.
  • Toxicological note: Dissolved Pd salts can exhibit cytotoxicity and allergenicity; exposure limits and risk assessment should follow institutional guidelines and SDS information. Elemental Pd’s bioavailability is low unless converted to ionic forms.

• Practical takeaway

  • Treat palladium as a research catalyst/material with no endogenous metabolic role. Prevent release of soluble Pd species into biological assays unless intentionally applied under controlled experimental designs.

Buffer Applications

Not typically applicable. Elemental palladium does not function as a buffering agent and is insoluble in aqueous media under neutral conditions.

• Practical note
  • If conducting Pd‑catalyzed transformations in water or buffered systems (e.g., aqueous Suzuki couplings, bioconjugations), choose buffer components that do not strongly chelate/poison Pd (avoid high levels of sulfide, thiols, cyanide). Phosphate or carbonate buffers are commonly used in coupling chemistry but may influence catalyst speciation.

Green Alternatives

Palladium enables many high‑efficiency bond constructions under mild conditions, but it is a precious metal with supply risk and end‑of‑process metal contamination concerns. Greener practices focus on reducing or replacing Pd, and on maximizing recovery.

• Greener strategies (literature/guidelines)

  • Catalyst minimization: use ppm‑level loadings via highly active ligation or nanoparticle catalysis; consider flow reactors to increase turnover.
  • Media: switch to bio‑based or benign solvents (water, EtOH, 2‑MeTHF, CPME) and micellar catalysis to lower solvent impact.
  • Recovery/reuse: implement catalyst immobilization, supported Pd, membrane separation, or scavenger resins to reclaim Pd and minimize waste.
  • Base‑metal alternatives: Ni, Cu, Fe catalysts for many cross‑couplings and hydrogenations; evaluate trade‑offs in selectivity, air‑sensitivity, and scalability.

• Comparison snapshot (general; not item‑specific)

  • Pd vs Ni in cross‑coupling
    • Activity: Pd typically higher functional‑group tolerance and lower loadings; Ni may handle aryl chlorides and challenging electrophiles but can require more stringent control.
    • Cost/toxicity: Ni cheaper, more abundant; associated with different worker‑safety profiles.
  • Heterogeneous Pd vs homogeneous Pd
    • Heterogeneous allows facile separation and reuse; homogeneous can achieve higher TON/TOF and more predictable selectivity.

• Implementation tips

  • Design for recovery upfront (choice of support, particle size).
  • Track residual metals against ICH Q3D limits and institute scavenging/filtration accordingly.

Pharmaceutical Uses

• Scope (no medical claims)

  • Elemental palladium is not an excipient. In pharmaceutical manufacturing, palladium (as metal or more commonly as Pd salts/complexes) is widely used as a process catalyst for C–C and C–N bond formations and for hydrogenation/deprotection steps (literature).

• Regulatory context (general guidance; not item‑specific)

  • ICH Q3D (Elemental Impurities) and USP/Ph. Eur. set permitted daily exposures (PDEs) and residual limits for Class 2A metals, including Pd. Manufacturing processes must control and document residual palladium in drug substances/products.
  • Typical controls: validated scavenging/filtration steps, metal assays (ICP‑MS), and demonstrated purge in the process design.

• Practical considerations for process chemists

  • Choose catalyst form and support to balance activity with removability. Immobilized Pd or larger particle sizes can ease recovery but may lower intrinsic activity.
  • Downstream removal: employ functional scavengers (thiol, amine, silica‑bound), activated carbon, or crystallization purges to meet residual limits.
  • Supply assurance: specification of trace metal contaminants and lot‑to‑lot consistency are critical; request full CoA including trace profile and ignition residue if applicable.

Physical Properties

• Item-specific (from Product Data)

  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.

• Literature values (general for elemental Pd; not item specifications)

  • Atomic weight: 106.42 g/mol (IUPAC, literature)
  • Crystal structure: face‑centered cubic (literature)
  • Melting point: ~1554.9 °C (literature)
  • Boiling point: ~2963 °C (literature)
  • Density: ~12.0 g/cm³ at 20 °C (literature; value depends on form/porosity)
  • Electrical conductivity: ~9.5 MS/m (literature) and exhibits notable hydrogen absorption which affects resistivity.
  • Magnetic behavior: diamagnetic (literature)
  • Solubility: insoluble in water and common organic solvents; dissolves in aqua regia and is attacked by hot concentrated nitric acid, forming Pd(II) species (literature).
  • Surface properties: capable of absorbing significant volumes of hydrogen, forming palladium hydride phases under H2 (literature).

• Practical notes

  • Physical properties such as apparent density, particle size, and surface area are highly form‑dependent (sponge, powder, foil, wire); consult the CoA for item‑specific metrics.
  • For catalytic applications, BET surface area and particle size distribution critically influence activity but are not specified here.

Quality & Grades

• Item-specific (from Product Data)

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

• Context and interpretation (general guidance)

  • Metallic palladium is supplied in diverse physical forms (foil, wire, pellets, sponge, powder) and purities (e.g., ≥99.5%, 99.9%, 99.95% traces‑metals basis). The exact specification controls suitability for catalysis, electronics, or analytical use. Since the grade for this SKU is not listed, consult the CoA for trace metal profile and loss on ignition/volatiles.
  • Catalysis relevance: Trace impurities such as sulfur, lead, mercury, or phosphorus strongly poison Pd surfaces. Low‑halide content is preferred for certain coupling reactions to minimize off‑cycle halide binding.
  • Particle metrics: For powders/sponges, surface area (BET), particle size, and morphology govern activity/selectivity but are item‑specific. If not reported on the CoA, consider independent characterization (e.g., SEM, PSD, BET) for critical applications.
  • Stabilizers/additives: Elemental Pd typically ships without organic stabilizers; supported catalysts (e.g., Pd/C) may contain binders or moisture—this listing is for elemental palladium, not a supported catalyst.
  • Recommended verification: For sensitive applications (pharmaceutical synthesis, microelectronics), request full metals screening (ICP‑MS), halide/sulfur analyses, and gas sorption data as applicable.

Reaction & Applications

Elemental palladium serves as a cornerstone in homogeneous and heterogeneous catalysis. While molecular Pd(0/II) complexes power most cross‑couplings, metallic Pd provides surfaces for adsorption/activation and can be transformed in situ to catalytically active species.

• Heterogeneous catalysis (literature)

  • Hydrogenations/dehydrogenations: selective reduction of alkenes, alkynes, nitro groups; deprotection of benzyl groups via hydrogenolysis. Elemental Pd (Pd black, Pd on supports) activates H2 and substrates at ambient to moderate conditions.
  • Oxidations: aerobic oxidations (e.g., alcohol to carbonyl) with O2 in the presence of co‑catalysts.

• Cross‑coupling relevance

  • Metallic Pd can be a precursor to soluble Pd(0) under reaction conditions (reducing base/ligand), enabling Suzuki–Miyaura, Heck, Sonogashira, Stille, Buchwald–Hartwig amination, and related couplings (literature). Practical observation: glassware and stir bars can leach trace Pd leading to “homeopathic” catalysis; conversely, sulfur/halide impurities poison reactivity.

• Organic transformations and niche uses

  • Allylic substitutions (Tsuji–Trost), carbonylations (with CO), and C–H activation sequences via Pd(II)/Pd(0) cycles.
  • Hydrogen storage/transfer: Pd absorbs H2, facilitating hydrogen transfer reactions and serving in hydrogenation apparatus conditioning.

• Practical tips

  • Pre‑activation: brief exposure of Pd surface to H2 (balloon) can clean/activate catalysts before hydrogenation.
  • Poison management: avoid sulfur, cyanide, heavy phosphines in heterogeneous hydrogenations unless required; additives like quinoline/Lindlar‑type modifiers tune selectivity.
  • Workup: filter through celite to remove metal; employ metal scavengers (SPE resins, thiourea silica) to reduce residual Pd in API intermediates.

Reaction Conditions

The metal itself is form‑dependent; conditions below are representative literature guidance for Pd‑enabled chemistries and are not specifications for this item.

• Suzuki–Miyaura cross‑coupling (literature example)

  • Catalyst: Pd source generated in situ from metallic Pd or common Pd salts/complexes; loadings 0.1–2 mol% Pd.
  • Ligands: biaryl phosphines (e.g., SPhos, XPhos), NHCs, or ligandless under certain conditions.
  • Solvent: 1,4‑dioxane/H2O, toluene/H2O, EtOH/H2O, DMAc, or DMF.
  • Base: K2CO3, K3PO4, Cs2CO3; 2–3 equiv typical.
  • Temperature/time: 50–100 °C, 1–16 h; microwave can shorten cycles.

• Heck reaction (literature)

  • Bases: Et3N, DIPEA, K2CO3. Solvents: DMF, NMP, toluene. 80–140 °C, 3–24 h.

• Sonogashira (literature)

  • Co‑catalyst: CuI (optional, copper‑free variants exist). Bases: Et3N, iPr2NH. Solvents: THF, DMF, amines. 25–80 °C.

• Hydrogenation/hydrogenolysis with Pd metal or Pd/C (literature)

  • Solvents: EtOH, iPrOH, AcOH, EtOAc.
  • H2 pressure: 1–10 bar (balloon to autoclave), RT–80 °C, minutes to hours.
  • Notes: Sulfur and strongly coordinating bases inhibit activity; pre‑wet Pd/C with solvent and degas to avoid exotherms; monitor uptake to endpoint.

• Workup and metals control

  • Hot filtration to remove metal/char; metal scavengers to reduce residual Pd to ICH‑compliant levels; ICP‑MS verification as needed.

Safety & Handling

• Item-specific hazard information (from Product Data)

  • Signal word: Not specified for this item; refer to SDS.
  • H‑statements: Not specified for this item; refer to SDS.
  • GHS classification/pictograms: Not specified for this item; refer to SDS.

• General safety guidance for elemental palladium (literature/industry practice; not item‑specific)

  • Hazards: Bulk metallic palladium is generally considered of low acute hazard; finely divided powders can form combustible dust clouds and may catalytically ignite hydrogen or flammable vapors. Avoid inhalation of metal dust/fumes generated by grinding or high‑temperature operations.
  • PPE: Safety glasses, lab coat, appropriate gloves (e.g., nitrile). Use dust control (local exhaust) when handling powders. For hot operations, use heat‑resistant PPE.
  • Incompatibilities: Avoid contact with strong oxidizers and halogenating agents; aqua regia or mixtures of nitric/HCl dissolve Pd. Under hydrogen, palladium can absorb H2; keep away from ignition sources when Pd is exposed to flammable gases.
  • First aid (overview): If inhaled (dust/fume), move to fresh air and seek medical advice if symptoms occur. Skin contact: wash with soap/water. Eye contact: rinse cautiously with water for several minutes; remove contact lenses if present and easy to do. Ingestion: rinse mouth, seek medical advice. Always defer to the product SDS for authoritative instructions.
  • Fire response: Metal is not readily flammable in bulk; however, accumulated fine powders may burn. Use appropriate extinguishing media (class D agent for metal fires if involved). Do not use water on burning metal powders.

Solvent Selection

This product is a solid elemental metal and not used as a solvent.

• Practical guidance

  • When used as a catalyst or catalyst precursor, choose the process solvent based on the intended transformation (see Reaction Conditions). The metal itself is insoluble in most media; reactions occur on the surface or after in situ formation of soluble Pd species.
  • Solvent purity (water/peroxide/UV cutoff) is irrelevant to the metal but critical to the reaction; base, halide content, and sulfur contaminants in the solvent or substrates can poison Pd.

• Typical solvent environments for Pd‑catalyzed chemistry (literature)

  • Polar aprotic: DMF, DMAc, NMP, DMSO, dioxane, acetonitrile.
  • Nonpolar/less polar: toluene, xylene, chlorobenzene.
  • Aqueous/green: water, ethanol, PEGs, 2‑MeTHF, CPME, with phase‑transfer or micellar systems as needed.

• Selection tips

  • For Suzuki–Miyaura: aqueous organic mixtures (e.g., dioxane/H2O, EtOH/H2O) with carbonate/phosphate bases are common.
  • For hydrogenations (with Pd/C or Pd black): protic solvents (EtOH, iPrOH) or AcOH can aid hydrogen uptake; avoid sulfur/amine impurities that foul the surface.

Storage & Reconstitution

• Item-specific (from Product Data)

  • Storage conditions: Room temperature, Desiccated, Cool.
  • Shipped in: Normal.

• Practical guidance (general; not item‑specific)

  • Keep tightly closed in a dry container to limit surface oxidation/contamination and to prevent moisture‑assisted corrosion in the presence of halides/acids.
  • Store away from acids (especially aqua regia) and strong oxidizers. Segregate from sulfur‑containing reagents that can poison catalytic surfaces.
  • For powders/sponges, minimize air‑entrainment and dust generation; use antistatic measures and local exhaust.
  • No reconstitution is required for elemental palladium. If preparing slurries (e.g., charging to reactors), pre‑wet with the process solvent under inert atmosphere as appropriate. For hydrogenations, a brief pre‑exposure to H2 can help activate the surface.
  • Disposal/recycling: Collect spent metal and residues for precious‑metal recovery. Do not discard to drain.

• Research use note

  • For research use only (as stated). Defer to the product SDS and CoA for any lot‑specific handling or stability information.

Structure & Identity

Elemental palladium (Pd) is a Group 10 transition metal; in this listing it refers to the zero‑valent metallic solid rather than a coordination complex.

• Item-specific (from Product Data)

  • SKU: P282919
  • Product name: Palladium
  • CAS: 7440-05-3
  • PubChem CID: 23938
  • InChIKey: 177202 (as provided)
  • SMILES: Not specified for this item; refer to CoA/Spec Sheet.

• Literature/Computed identifiers and features (general information)

  • Elemental symbol: Pd
  • Common oxidation states in chemistry: 0, +2, +4 (metal here is Pd(0))
  • Crystal structure: face‑centered cubic (fcc) metal lattice (literature)
  • 2D/“flat” depiction (conceptual): a regular array of Pd atoms in an fcc packing; no discrete molecular bonds as in organic molecules.
  • Functional groups: none (elemental metal); surface atoms can bind adsorbates (H2, alkenes, halides) and initiate catalytic cycles via oxidative addition.

• Structural notes for practitioners

  • Surface chemistry dominates reactivity: nanoparticulate or high‑surface‑area forms show enhanced catalytic activity relative to bulk.
  • Electronic configuration (literature): [Kr] 4d10, correlating with facile oxidative addition/reductive elimination in Pd‑catalyzed cross‑couplings when converted to molecular Pd(0/II) species.

Synthetic Utility

Palladium underpins modern synthesis by enabling otherwise challenging bond constructions and selective reductions.

• Catalytic cycles (literature)

  • Cross‑coupling manifold: oxidative addition (Pd(0)→Pd(II)), transmetalation, and reductive elimination deliver C–C, C–N, C–O bonds. Metallic Pd serves as a reservoir of Pd(0), especially in ligandless or heterogeneous protocols.
  • Hydrogenation/hydrogenolysis: surface‑mediated H–H cleavage and delivery to unsaturated bonds or benzylic C–X bonds, with tunable selectivity via solvents, modifiers, and pressure.

• Named reactions facilitated by Pd species

  • Suzuki–Miyaura, Heck, Sonogashira, Stille, Negishi, Kumada–Tamao–Corriu, Tsuji–Trost, Buchwald–Hartwig amination, carbonylations (e.g., Monsanto‑type variants) – conditions often generated from Pd(0)/Pd(II) species that can originate from the metal.

• Retrosynthetic value

  • Enables late‑stage diversification of complex scaffolds by forming aryl–aryl, aryl–vinyl, and aryl–amine linkages under functional‑group‑tolerant conditions, reducing protection/deprotection steps.

• Practical pointers

  • For heterogeneous reductions, calibrate catalyst amount to substrate functionality to avoid over‑reduction; consider poisoned or modified catalysts to enhance chemoselectivity.
  • Monitor leaching: even “heterogeneous” systems may operate via leached Pd; plan for scavenging and residual analysis.

Target Specificity

Not applicable. This listing is for elemental palladium, not a biological reagent or antibody. There are no antigen/epitope targets, species reactivity, or isotypes associated with this product.

Frequently Asked Questions

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.