iso-Propylammonium iodide - ≥99.5%(4 times recrystallized)

Cat. No.: I290340

Storage

Room temperature

Specifications

仕様と純度

≥99.5%(4 times recrystallized)

保管条件

Room temperature

Application Protocols

No manufacturer-tested application protocols are provided in the Product Data. The following are literature-style, general-use examples for research only.

• Perovskite surface passivation (typical workflow):

  • Prepare a 5 mg/mL solution of iso-propylammonium iodide in anhydrous isopropanol; filter through 0.2 µm PTFE.
  • Deposit on a freshly formed perovskite film by spin-coating (e.g., 4000 rpm, 20–30 s) or brief dip (5–30 s); immediately spin-rinse with neat isopropanol.
  • Anneal at 100 °C for 10 min in a dry N2 environment. Characterize by PL, TRPL, or device JV to assess passivation.

• Halide exchange on alkyl bromide (illustrative):

  • Dissolve substrate (1.0 equiv) in dry acetonitrile (0.1–0.5 M). Add iso-propylammonium iodide (2.0 equiv).
  • Stir at 50 °C for 6 h under N2. Monitor by GC or NMR. Upon completion, quench with water, extract into ether, wash, dry, and concentrate. Purify by column chromatography if needed.

These protocols are suggestions based on literature norms and should be adapted to your specific system. Validate conditions and safety on small scale before scale-up.

Biological Roles

This compound is an organic ammonium iodide salt primarily used in materials science and synthetic chemistry. It does not have established endogenous biological roles.

• General (literature) context:

  • Alkylammonium cations can interact electrostatically with biomolecules and membranes, but iso-propylammonium iodide is not a standard biochemical reagent.
  • Iodide is a biologically relevant anion in organisms (e.g., thyroid hormone biosynthesis), yet this product is intended strictly for laboratory research and materials processing, not for biological or nutritional use.

• If used in bio-related experiments (exploratory research only):

  • Expect strong ionic strength effects; may alter protein stability and enzyme activity via Hofmeister effects.
  • Verify cell compatibility and osmolarity independently; no claims are made about biocompatibility or sterility for this item.

Research use only: Not for diagnostic, therapeutic, or clinical applications.

Buffer Applications

iso-Propylammonium iodide is not a conventional buffering agent and does not form a standard conjugate acid/base pair in a pH range useful for biological buffers.

• Practical note:
  • If ionic strength adjustment is desired, standard inert salts (e.g., NaCl, KCl) are preferred due to better-characterized effects and compatibility.
  • For pH control, select established buffer systems (HEPES, PBS, Tris, acetate) appropriate to the target pH and ionic strength.

No buffer recipes are provided for this product.

Green Alternatives

Perspective: Choosing greener options depends on the intended application (device fabrication vs. synthesis). Below are literature-based considerations (not item specifications).

• For perovskite processing:

  • Prefer lower-toxicity, low-boiling alcohols (ethanol, isopropanol) over DMF/NMP where feasible for post-treatments.
  • Consider bio-derived solvents (2-MeTHF, Cyrene) for non-film-forming steps if solubility/performance allows; note that many ammonium iodides have limited solubility in these media.

• For iodide sourcing in synthesis:

  • Replace metal-containing iodides (NaI/KI) with organic iodide sources when metal contamination is a concern; conversely, if EHS permits, NaI in acetone is often less toxic than DMF-based systems.

• Comparison snapshot (general):

  • iPAI in isopropanol: low toxicity solvent, rapid drying, good for surface treatments; limited solubility ceiling vs methanol.
  • iPAI in ethanol: greener profile than methanol, adequate volatility; slightly slower drying than isopropanol.
  • iPAI in DMF/DMSO: strong performance/solubility; higher worker exposure risks and waste burden; ensure engineering controls.

Trade-offs: Greener solvents may reduce solubility or alter film morphology. Validate by small-scale trials and device metrics (PLQY, Voc, stability) before process adoption.

Pharmaceutical Uses

No pharmacopeial/excipient status is provided for this item. It is offered for research use only.

• General note:
  • Organic ammonium iodides are not commonly used as pharmaceutical excipients. When iodide anion is required in formulations, inorganic salts (e.g., potassium iodide) with established compendial monographs are typically chosen.
  • For any consideration in formulation research (non-clinical), ensure comprehensive impurity, residual solvent, and elemental impurity control per ICH Q3 guidelines; this product provides no such claims unless stated on its CoA.

No clinical or therapeutic claims are made or implied.

Physical Properties

• Item-specific properties from Product Data:

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

• Storage condition (from Product Data):

  • Room temperature.

• Hazard/Safety physical data (from Product Data):

  • GHS/Signal/Pictograms: Not specified for this item; refer to SDS.

• Literature/general properties for reference (not item specifications):

  • Physical state: typically a crystalline, hygroscopic organic salt.
  • Solubility: highly soluble in water; readily soluble in polar protic (methanol, ethanol, isopropanol) and polar aprotic solvents (DMF, DMSO, acetonitrile). Solubility in nonpolar media is poor.
  • Thermal behavior: many small alkylammonium iodides soften and decompose upon heating rather than exhibit a sharp melting point; darkening can occur from iodide oxidation to iodine.
  • Density/refractive index: not broadly reported for this specific salt; consult CoA for item-specific values if required.
  • Hygroscopicity: tends to absorb moisture; solutions can be mildly acidic due to ammonium acidity and hydrolysis.

Notes for users: Where numerical values (mp, bp, density, refractive index, UV cutoff, water/peroxide/metal specs) are required for method validation or QA, obtain the lot-specific Certificate of Analysis. This section intentionally avoids asserting numeric specifications absent from the Product Data.

Quality and Grades

• Item-specific grade/purity: Not specified for this item; refer to CoA/Spec Sheet.

• Interpreting grades (general guidance for ammonium halides used in materials science):

  • Electronic/OPV/Perovskite grade typically emphasizes low alkali/alkaline earth metals and transition-metal impurities, controlled halide stoichiometry, and low water content to minimize trap states and parasitic phases in thin films.
  • HPLC/Analytical grade focuses on low UV-absorbing impurities and particulate control; may be less relevant than electronic grade for device fabrication.
  • Anhydrous or low-water specifications (if offered) are valuable for moisture-sensitive film deposition; verify ppm-level water content on the CoA when moisture control is critical.

• Stabilizers: Not specified for this item; refer to CoA/Spec Sheet. Many iodide salts are supplied without stabilizers but benefit from dry packaging and light protection to limit iodine formation.

• Recommended QA checks (user-side):

  • Record lot number and consult CoA for assay (%), halide titration, residual solvent, and metals by ICP-MS if device performance is sensitive to trace contaminants.
  • For perovskite applications, consider verifying halide composition (e.g., via ion chromatography), Karl Fischer water, and particle size/flowability for ink/process consistency.

Note: Do not ascribe numerical purity, metals, or water values unless they appear on the item’s CoA/Spec Sheet.

Reaction and Applications

• Materials science (literature/general):

  • Halide-perovskite processing: iso-propylammonium iodide (often abbreviated iPAI) is used for surface passivation and 2D/3D quasi-layered perovskite formation. Post-treatment of lead-iodide perovskite films with dilute iPAI in alcohols can reduce nonradiative recombination by forming a thin ammonium-terminated layer and passivating iodide vacancies and undercoordinated metal sites.
  • Grain-boundary modification: short-chain ammonium iodides can improve moisture tolerance and inhibit ion migration by filling grain-boundary defects.

• Synthetic chemistry (literature/general):

  • Iodide source in polar media: provides iodide for halide exchange (Finkelstein-type transformations) and activation of alkyl electrophiles via in situ formation of better leaving groups (RI vs RBr/RCl). While NaI/KI are more common, quaternary/alkylammonium iodides are used when metal cations are undesirable or as phase-transfer-compatible salts.
  • Phase-transfer catalysis context: ammonium iodides can facilitate reactions at organic/aqueous interfaces; although isopropylammonium is primary and not quaternary, its iodide counterion can still assist in certain biphasic iodide-transfer scenarios.
  • Initiator/co-catalyst roles: iodide can promote radical processes under photochemical conditions (e.g., via I•/I3− equilibria) in specialized protocols.

• Practical tips:

  • Use dry, oxygen-reduced solvents for perovskite applications; brief exposures (seconds–minutes) to dilute solutions (e.g., 1–10 mg/mL in IPA or EtOH) are common in literature, followed by spin-rinse and anneal.
  • For halide exchange, employ polar aprotic solvents (MeCN, DMF) and remove precipitated salts (e.g., NaCl/NaBr analogs when using mixed systems) to drive equilibrium.

All application details above are general literature guidance and not specifications of this particular lot.

Reaction Conditions

Guidance below is literature-based and intended as general starting points; optimize for your specific substrate set. These are not product specifications.

• Halide exchange (Finkelstein-type) using organic iodides:

  • Solvent: acetonitrile, DMF, or DMSO.
  • Temperature: ambient to 60 °C (higher temperatures accelerate exchange but may increase side reactions).
  • Stoichiometry: 1.5–3.0 equiv iodide salt vs. substrate.
  • Time: 1–24 h depending on substrate leaving group and sterics.
  • Notes: remove resulting salts (e.g., via filtration if precipitated or aqueous workup). Dry conditions improve rates for secondary substrates.

• Perovskite surface treatment/passivation (common literature practice):

  • Stock solution: 1–10 mg/mL iso-propylammonium iodide in anhydrous isopropanol or ethanol.
  • Application: spin-cast or dip/rinse on pre-formed lead-iodide perovskite films for seconds to a few minutes; immediately spin-dry.
  • Post-treatment: mild thermal anneal (80–120 °C, 5–10 min) to drive solvent removal and interfacial reorganization.
  • Atmosphere: dry air or N2 glovebox to limit moisture uptake.

• Photochemical/iodide-mediated catalysis:

  • Solvent: acetonitrile or mixed MeCN/MeOH.
  • Light source: blue to green LEDs depending on photocatalyst; iodide may participate as a redox mediator.
  • Monitor: UV–vis or LC to track reaction progress and iodine formation (I3− band ~290–360 nm, literature).

Always perform small-scale trials, include controls, and verify by analytical methods (NMR, LC/MS, XPS for surfaces) as appropriate.

Safety and Handling

• GHS 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 considerations (literature/general guidance):

  • Likely hazards: may cause irritation to skin, eyes, and respiratory tract. Iodide salts can release iodine upon oxidation; discoloration to yellow/brown may indicate oxidation.
  • PPE: lab coat, safety glasses or splash goggles, and appropriate chemical-resistant gloves (e.g., nitrile). Use in a fume hood when handling powders or preparing solutions.
  • Incompatibilities: strong oxidizers (can liberate iodine); strong bases may deprotonate the ammonium cation to regenerate isopropylamine (volatile, flammable, odorous); strong acids not generally problematic but may increase corrosion. Avoid contact with nitrites in acidic media (risk of nitrosamine formation from amines in general).
  • Handling: minimize exposure to ambient humidity; promptly recap. Prepare fresh solutions for moisture/oxygen-sensitive applications (e.g., perovskite processing).
  • First aid (overview; defer to SDS): on skin/eye contact, rinse with water for at least 15 minutes; remove contaminated clothing. If inhaled, move to fresh air. If ingested, rinse mouth; seek medical advice. Provide SDS to medical personnel.

Always consult the product-specific Safety Data Sheet (SDS) for authoritative hazard classification, exposure limits, and disposal guidance.

Solvent Selection

• Polarity/ionicity: iso-Propylammonium iodide is an ionic organic salt; dissolution favors polar media.

• Practical solvent choices (general guidance):

  • Aqueous solvents: water provides high solubility; suitable for solution processing when moisture tolerance exists.
  • Polar protic: methanol, ethanol, and isopropanol are common for spin-coating and surface treatments; volatility aids film formation.
  • Polar aprotic: DMF, DMSO, NMP, and acetonitrile dissolve ammonium iodides well and are frequently used in perovskite precursor solutions. Mixed DMF/DMSO systems can optimize viscosity and drying behavior.
  • Nonpolar: poor solubility in hydrocarbons and chlorinated nonpolar solvents; generally unsuitable.

• Selection tips:

  • For perovskite surface passivation/capping: isopropanol or ethanol solutions (low water content) minimize substrate damage and dry quickly.
  • For halide exchange in organics: acetonitrile or DMF favors SN2 halide exchange due to high dielectric constant and low nucleophilicity of the solvent.
  • Moisture-sensitive workflows: use anhydrous, oxygen-scrubbed solvents; filter (0.2 µm) prior to coating.

• Small comparison (general):

  • Isopropanol: safer, relatively green, fast drying; slightly lower solubility than methanol.
  • Methanol: higher solubility; greater toxicity; faster evaporation.
  • DMF/DMSO: excellent solubility control; higher boiling points and EHS burden; good for uniform film casting.

Always match solvent choice to substrate compatibility, EHS requirements, and target morphology.

Storage and Reconstitution

• Storage (from Product Data): Room temperature.

• Additional handling recommendations (general best practices for ammonium iodides):

  • Keep tightly closed in original container with desiccant to limit moisture uptake; store in a dry place away from direct light to minimize iodide oxidation (iodine formation).
  • If discoloration (yellow/brown) occurs, assess impact on your application; light grinding and use under inert atmosphere may suffice, but for sensitive work, open a fresh container.

• Solution preparation (general guidance):

  • Prepare solutions in dry, oxygen-reduced solvents (e.g., anhydrous isopropanol, ethanol, acetonitrile, DMF, DMSO). Filter (0.2 µm) prior to thin-film processing.
  • Typical working concentrations for surface treatments: 1–10 mg/mL in alcohols (optimize per substrate/process).
  • Solution stability: iodide solutions can slowly oxidize; prepare fresh daily for critical applications or store short-term (≤24–48 h) in amber vials under N2 at 2–8 °C. Verify visually and analytically before use.

• Freeze–thaw: Not generally applicable to solids; if storing solutions cold, avoid repeated freeze–thaw by aliquoting.

• Shipped In (from Product Data): Not specified for this item; refer to CoA/Spec Sheet.

Always follow your institution’s chemical hygiene plan and consult the SDS for detailed storage incompatibilities and disposal.

Structure and Identity

Short description: iso-Propylammonium iodide is a small organic ammonium halide salt composed of an isopropylammonium cation and iodide anion; frequently used in materials science (e.g., halide-perovskite surface treatments) and as a source of iodide in organic media.

• Item-specific identifiers from Product Data:

  • CAS: Not specified for this item; refer to CoA/Spec Sheet.
  • InChIKey: 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/computed identity details (for general reference; not item specifications):

  • Empirical formula (literature): C3H10NI (isopropylammonium iodide)
  • Formula mass (literature, calculated): ~187.03 g/mol
  • SMILES (typical salt representation): CC(C)[NH3+].[I-]
  • Core structural features: one secondary alkyl group (isopropyl, –CH(CH3)2) bound to a protonated primary amine (–NH3+) forming an alkylammonium cation; paired with iodide anion (I−).
  • 2D structural description: a three-carbon branched chain with a central chiral center at C2 (racemic as a simple salt unless specified), terminating in a protonated amine; counterion iodide situated ionically and not covalently bonded.

• Stereochemistry: The carbon bearing the –NH3+ in isopropylammonium is stereogenic, but commercial materials are typically racemic unless an enantiopure cation is designated (not specified here).

Synthetic Utility

• Functional features:

  • Provides a readily available iodide anion in organic-compatible form; cation is a small primary ammonium (protonated isopropylamine) that can influence solubility and phase behavior.

• Representative uses (literature/general):

  • Halide exchange (Finkelstein-type): iodide displaces chloride/bromide in suitable substrates under polar aprotic conditions to form more reactive alkyl iodides, facilitating subsequent SN2 steps.
  • Activation via in situ RI formation: iodide-assisted conversion of alcohol derivatives (e.g., mesylates/tosylates) to iodides, often at milder temperatures than corresponding bromides/chlorides.
  • Nucleophilic catalysis: iodide can catalyze certain substitutions (e.g., azidations, cyanations) by transient iodide incorporation followed by displacement.
  • Photoredox/radical chemistry: iodide participates in charge-transfer and radical pathways, enabling C–I bond formation/cleavage sequences in specialized methods.

• Process advantages:

  • Metal-free iodide source when avoiding Na+/K+ is desired (e.g., to limit metal residues in complex mixtures or device-grade materials).
  • Potential compatibility with biphasic systems and organic media without introducing inorganic salts that can precipitate or complicate workup.

• Caveats:

  • Where strong basic conditions are required, ammonium salts may partially deprotonate to amines, altering reaction milieu; consider quaternary ammonium iodides for robust PTC scenarios.
  • Iodide can promote elimination or over-iodination in sensitive systems; titrate loading and monitor closely.

Target Specificity

Not applicable. This product is a small-molecule salt, not a biological targeting reagent (e.g., antibody, inhibitor, or probe). No antigen, epitope, species reactivity, clone, or isotype information applies.