StickyCat PF₆ - ≥95% , CAS No.2249721-29-5

CAS: 2249721-29-5 Cat. No.: S463442 Poids moléculaire: 843.72

GRADE & PURITY ≥95%

Synonyms

(1,3-Dimesityl-4-((trimethylammonio)methyl)imidazolidin-2-ylidene)dichloro(2-isopropoxybenzylidene)ruthenium(II) hexafluorophosphate

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Description

StickyCat PF6is for heterogeneous olefin metathesis that can be performance modulated by ion exchange. The catalyst also has high stability in non-degassed water.

Specifications

Synonymes

(1,3-Dimesityl-4-((trimethylammonio)methyl)imidazolidin-2-ylidene)dichloro(2-isopropoxybenzylidene)ruthenium(II) hexafluorophosphate

Spécifications et pureté

≥95%

Informations juridiques

Sold in collaboration with Apeiron Synthesis, Inc. Research quantities are 100 g / customer / year. For quantities that exceed the research limit, please contact the supplier at www.apeiron-synthesis.com. PCT/EP2013/053967

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Poids moléculaire

843.72

Propriétés chimiques et physiques

• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable
• Point de fusion (°C): 266℃ (de

Application Protocols

No tested application protocols are provided for this item in the Product Data. For general laboratory use, consider the following generic steps, then adapt to your system and consult primary literature:

Generic handling (general)

• Bring to room temperature in a desiccator before opening to prevent moisture condensation.
• Transfer quickly under dry conditions; reseal immediately and return to 2–8 °C storage.

If performing halide-to-PF6− metathesis (general example)

• Dissolve the halide salt of your cation in acetonitrile; add an aqueous solution of KPF6 with vigorous stirring to induce phase transfer and precipitation of inorganic salts.
• Separate layers, wash thoroughly with water to remove halide and K+/Na+ salts, dry the organic layer, and concentrate under reduced pressure at mild temperature.
• Verify ion exchange by 1H/13C/19F NMR and halide tests. Adjust steps to the solubility and stability of your specific cation.

Note: These are literature-style generalizations and not product-specific instructions.

Biological Roles

Item-specific biological information is not provided for this product; refer to CoA/Spec Sheet. PF6− salts are generally engineered for chemical, materials, or electrochemical applications rather than biological function.

General perspective

• PF6− is a non-coordinating anion employed to tune solubility, ion pairing, and stability of cationic species; it does not have a known physiological role.
• Certain cations paired with PF6− (e.g., onium salts) can interact with biomolecules due to charge and hydrophobicity; such interactions are highly structure-dependent and must not be inferred for this product without data.

Use guidance

• If evaluating any bio-related assay (enzyme tests, binding, cell-free systems), conduct compatibility screens for fluoride release, buffer stability, and solvent tolerance. Maintain appropriate controls and avoid acidic conditions that could lead to PF6− hydrolysis.

Research use note

• For research use only. Not intended for diagnostic or therapeutic applications.

Buffer Applications

This product is not presented as a buffering reagent, and no pKa/pH-capacity data are provided. PF6− salts are generally not used to create aqueous buffer systems.

Practical guidance

• If the cation component is to be used in aqueous media, choose an established buffer (e.g., phosphate, HEPES, MOPS, Tris) appropriate to your target pH and ionic strength, and verify compatibility with PF6− (watch for limited solubility or precipitation).
• Avoid acidic buffers when stability of PF6− is a concern. Confirm fluoride levels if extended aqueous exposure is expected.

Green Alternatives

Environmental/safety context (general for PF6− counterions)

• Risk tradeoffs: PF6− is weakly coordinating and synthetically useful, but under harsh acidic or high-temperature hydrolysis, it can form HF and related species. Disposal may require special consideration. Lifecycle and persistence are cation-dependent but fluorinated anions can raise environmental flags.

Potential alternatives (literature/general; evaluate case-by-case)

• Non-fluorinated anions: Methanesulfonate (MsO−), p-toluenesulfonate (TsO−), trifluoroacetate alternatives avoided if fluorination is a concern; even greener may be acetate, citrate, or lactate, depending on solubility and performance needs.
• Other weakly coordinating anions: BF4− (tetrafluoroborate) is less hydrolysis-prone than PF6− in some contexts but is also fluorinated; NTf2− affords low-viscosity ILs but is perfluorinated and persistent.
• Solvent/process alternatives: Where PF6− salts are used solely to adjust phase behavior, consider greener solvents (2-MeTHF, CPME, EtOAc) or surfactant-assisted aqueous systems to reduce reliance on fluorinated counterions.

Decision guide

• Define the function (counterion exchange, crystallization aid, electrolyte, IL medium). Screen non-fluorinated anions first if performance allows. If PF6− is uniquely enabling, minimize waste, operate under dry, neutral conditions, and implement robust waste capture for fluoride-containing residues.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation use is specified for this item; refer to CoA/Spec Sheet. Content below is general.

General notes (non-clinical)

• PF6− salts have niche uses in materials and process chemistry but are uncommon as pharmaceutical excipients because of hydrolysis and fluoride concerns.
• In process development, swapping halide for PF6− can improve crystallinity or enable salt screening of cationic APIs/intermediates; such use is strictly within R&D and requires toxicological and regulatory evaluation.

Cautions

• Do not use in human or veterinary applications. For research use only.
• If used in pre-formulation salt screens, thoroughly evaluate stability (moisture/acid sensitivity), residual inorganic content, and counterion safety profiles.

Physical Properties

Item-specific facts (from Product Data)

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Other specifications (bp, mp, density, refractive index, solubility): Not specified for this item; refer to CoA/Spec Sheet.

Typical properties of PF6− salts (literature/general; confirm for this product before use)

• State: PF6− salts can range from crystalline solids to viscous ionic liquids, depending on the cation.
• Melting point and glass transition: Widely cation-dependent; many imidazolium/phosphonium PF6 salts have melting points from sub-ambient to >100 °C.
• Solubility: PF6− often decreases water solubility compared with halide or BF4− analogs; solubility may increase in polar aprotics (e.g., acetonitrile, nitromethane) or chlorinated solvents. Always verify experimentally.
• Hygroscopicity: Varies; dry storage commonly recommended to prevent hydrolysis of PF6− under harsh conditions.

Measurement tips

• If viscosity is high (ionic-liquid-like), measure density and refractive index at controlled temperature (e.g., 20–25 °C) and record water content by Karl Fischer (only if validated for this item).

Quality and Grades

Item-specific facts (from Product Data)

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

How to interpret grade and purity (general guidance)

• Research Grade: Typically suitable for synthetic and analytical laboratory work; impurity limits and residual solvents are defined on the CoA. If low UV background is necessary (e.g., HPLC use), ensure UV cutoffs/absorbance specs are provided on the item’s CoA.
• Salt identity and counterion assay: For PF6− salts, 19F NMR and ion chromatography can confirm counterion integrity; ICP-OES may quantify residual metals from synthesis.
• Water and halide content: Karl Fischer is commonly used for water. Ion chromatography or argentometric titration may be used for Cl−/Br− if relevant.
• Stabilizers/additives: None are specified for this item. If present, stabilizers would be declared on the CoA and may influence downstream applications and purification.

What to check on receipt (practical)

• Verify appearance, lot-specific purity, residual solvent, and water content as applicable. Request CoA/SDS if not supplied. If your application is moisture- or acid-sensitive, confirm acidity/fluoride release parameters before scale-up.

Reaction and Applications

Item-specific application notes: Not specified for this item; refer to CoA/Spec Sheet. The catalog name suggests a PF6− counterion; the following are general, literature-based use cases for PF6− salts and should be confirmed for this product’s specific cation.

Representative application spaces (general)

• Phase and counterion control: Exchanging halide to PF6− can render cationic complexes or organocatalysts less nucleophilic and more lipophilic, aiding extraction, crystallization, or catalysis.
• Ionic liquids and media: PF6− salts of imidazolium/pyridinium/phosphonium cations are widely studied as ionic liquids/IL additives in synthesis, separations, and electrochemistry.
• Electrochemistry: PF6− is a common supporting electrolyte anion (e.g., in LiPF6 systems); organo-PF6 salts of onium species can serve as electrolytes or conductive additives depending on the cation.
• Photoinitiators/acid generators: On certain onium cations, PF6− forms photoacid/photoinitiator salts used in cationic polymerization (epoxies, vinyl ethers). This is cation-specific.

Practical guidance

• Dry, acid-free conditions are preferred if PF6− stability is a concern. Avoid protic acids at elevated temperature.
• For ion exchange, convert halide salts to PF6− using HPF6 or aqueous/MeCN KPF6/NaPF6 with appropriate biphasic extraction; rigorously wash to remove halide and inorganic salts (verify by AgNO3 test/IC).

Reaction Conditions

No item-specific reaction condition data are provided; the following are general, literature-based considerations for using PF6− salts. Confirm applicability for this product’s specific cation.

Typical media and conditions (general)

• Solvents: Dry acetonitrile, dichloromethane, nitromethane, or aprotic ethers/carbonates are commonly used for PF6− salts. For ionic liquid applications, neat use or with cosolvents is possible.
• Temperature: Ambient to 80 °C for many transformations; avoid strong acids and high temperatures that could promote PF6− hydrolysis and fluoride release.
• Atmosphere: Inert gas (N2/Ar) recommended when moisture sensitivity is suspected.
• Additives: Molecular sieves or dry bases (as appropriate) to control water; avoid protic acids.

Workup and isolation

• If the product is a PF6− salt, wash organic layers with deionized water and brine, then dry over non-acidic desiccants (e.g., MgSO4). Avoid acidic drying agents. Verify absence of inorganic PF6− residues via conductivity/IC if relevant.

Performance metrics

• Expected yields and times are system- and cation-dependent; consult the primary literature for the specific reaction manifold you intend to use.

Safety and Handling

Item-specific facts (from Product Data)

• GHS signal word: Not specified for this item; refer to SDS.
• H-statements/GHS classification/pictograms: Not specified for this item; refer to SDS.
• Storage conditions: Store at 2–8 °C.
• Shipping: Shipped on wet ice.

General safety considerations (consult SDS for authoritative guidance)

• Personal protective equipment: chemical-resistant gloves, lab coat, eye protection; handle in a fume hood to avoid inhalation of dust/vapors/aerosols.
• Incompatibilities and decomposition: Hexafluorophosphate salts can, under strongly acidic, high-temperature, or hydrolytic conditions, release HF and other fluorinated species. Avoid strong acids, strong bases, and elevated temperatures; keep containers dry and tightly closed. Do not heat to dryness without risk assessment.
• Moisture management: Work quickly with minimal headspace exposure if the material is hygroscopic. Re-seal promptly with desiccant.
• First aid (general): If on skin/eyes, rinse with water for at least 15 minutes and remove contaminated clothing; if inhaled, move to fresh air; if ingested, rinse mouth and seek medical attention. Provide SDS to medical personnel.
• Spill response: Contain and collect with inert absorbent. Avoid contact with acids. Dispose of according to institutional and regulatory requirements.

Always defer to the product-specific SDS for definitive hazard, PPE, and first-aid information.

Solvent Selection

Item-specific solubility data are not provided for this product; refer to CoA/Spec Sheet or perform a micro-scale solubility screen.

General guidance for PF6− salts (literature/inference; confirm experimentally)

• Polarity and miscibility: Many PF6− salts show reduced water solubility relative to their halide analogs. Solubility often improves in polar aprotic solvents such as acetonitrile, nitromethane, DMF, DMSO, or in chlorinated solvents; some are soluble in alcohols. Ionic-liquid variants can be miscible with a range of organic solvents.
• Dielectric considerations: If electrochemical or ion-pair effects are important, high-permittivity solvents (MeCN, propylene carbonate) are frequently chosen.
• Dryness: Use anhydrous solvents for moisture-sensitive applications to minimize PF6− hydrolysis risk.

When to choose vs alternatives

• PF6− vs halides (Cl−/Br−): PF6− often suppresses nucleophilic interactions and can enhance crystallinity or phase separation. Halides may confer higher aqueous solubility and easier handling.
• PF6− vs BF4−/NTf2−: BF4− is also weakly coordinating but more water compatible; NTf2− often gives lower viscosity ionic liquids but has different environmental profiles. Choose based on solubility, viscosity, and stability requirements.

Storage and Reconstitution

Item-specific storage (from Product Data)

• Store at 2–8 °C.
• Shipped on wet ice.

General best practices for PF6− salts (confirm applicability)

• Keep container tightly closed in a dry place. Use a desiccant and minimize headspace exposure to moisture. Avoid acidic vapors and prolonged heating.
• If the material is viscous or ionic-liquid-like, warm gently to ambient temperature before dispensing; do not overheat.

Reconstitution/solution preparation

• Reconstitution solvents: Not specified for this item; refer to CoA/Spec Sheet. As a general approach, test small-scale dissolution in dry acetonitrile, DCM, or other polar aprotics, verifying absence of decomposition (19F NMR check for HF/F− if needed).
• Filtration: If particulate is present, filter through a dry PTFE membrane under inert gas.

Stability

• Shelf-life and stability parameters are not specified for this item; refer to CoA. Discard if discoloration, gas evolution, or unusual odor is observed, and consult SDS/CoA for guidance.

For research use only. Not for human or veterinary use.

Structure and Identity

Item-specific facts (from Product Data)

• CAS: 2249721-29-5
• Product name: StickyCat PF₆ (catalog/trade name)
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.

Interpretive notes and general chemistry (inference; confirm on CoA)

• The suffix “PF₆” typically denotes the hexafluorophosphate anion, PF6−, used as a non-coordinating counterion in many salts and ionic liquids. If applicable here, the material would be a salt comprising an organic cation (“StickyCat”) paired with PF6−.
• Structural features commonly seen in PF6− salts: a discrete organic cation (ammonium, imidazolium, pyridinium, phosphonium, etc.) with no direct covalent bonding to PF6−. PF6− is octahedral around P(V), highly fluorinated, and generally considered weakly coordinating.
• 2D structure description (generic for PF6− salts): a central cationic organic framework (aromatic/heteroaromatic or aliphatic, often bearing N+ or P+) electrostatically associated with the PF6− anion, which is represented as P surrounded octahedrally by six F atoms.

Identity verification guidance

• For definitive identification, rely on CoA/SDS for: exact cation structure, elemental analysis, HRMS, NMR, and any counterion assays (e.g., 19F NMR consistent with PF6−).

Synthetic Utility

Item-specific transformations are not provided; the following are general utilities associated with PF6− salts and should be confirmed for the specific cation of this product.

Key roles for PF6− salts (general)

• Counterion exchange to tune reactivity: PF6− can attenuate nucleophilicity of coordinating anions, benefiting catalysis with onium or transition-metal complexes.
• Crystallization and isolation: Replacing halide with PF6− may improve crystallinity or phase separation for purification of cationic species and organometallic complexes.
• Ionic-liquid platforms: PF6−-based salts can serve as solvents/co-solvents or phase modifiers in biphasic catalysis and extraction.
• Photoinitiation: Onium–PF6 salts are used as photoacid generators in cationic polymerizations (system- and cation-specific).

Retrosynthetic considerations

• Access to PF6− salts often involves metathesis from chloride/bromide using KPF6/NaPF6 in mixed aqueous/organic media, followed by thorough washing and drying to remove inorganic residues. Analytical verification (AgNO3 test, 19F NMR) is recommended.

Target Specificity

Not applicable. This product is not an antibody, probe, or biological targeting reagent. No antigen/epitope, clone, isotype, or species reactivity information is provided or implied for this item.

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 2249721-29-5, and the molecular weight is 843.72 g/mol.

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.