Methyldiammonium diiodide - ≥99.5%(4 Times Purification) , CAS No.M491905

CAS: M491905 Cat. No.: M491905 Formula: CH₈N₂I₂ Peso molecolare: 301.90

GRADE & PURITY ≥99.5%(4 Times Purification)

Synonyms

MDAI2

Storage

Protected from light

Shipped In

Normal

Specifications

Sinonimi

MDAI2

Specifiche e purezza

≥99.5%(4 Times Purification)

Condizioni di conservazione di stoccaggio

Protected from light

Spedito in

Normal

Purezza

≥99.5%(4 Times Purification)

Nomi e identificatori

Peso molecolare

301.90

Proprietà chimiche e fisiche

• Solubilità: Soluble in DMF, DMSO et al
• Sensibilità: Moisture sensitive；air sensitive；light sensitive

Application Protocols

No validated biological assay protocols are associated with this product. For materials processing, users typically develop in-house procedures. General guidance (not item-specific):

• Stock solution prep: Prepare in dry DMSO/DMF or water/alcohol as solubility allows; filter (0.2 µm); protect from light.
• Thin-film post-treatment: Drop-cast or briefly immerse the film in a dilute solution, rinse with a compatible solvent, and anneal mildly to remove residuals.
• Metathesis: Combine equimolar solutions of the target cation and this iodide salt; precipitate the exchanged counterion; isolate by filtration and wash.

Consult the CoA/Spec Sheet for any item-specific handling notes. Pilot small-scale trials before scaling.

Biological Roles

This product is supplied for research use only and is positioned for materials science applications. No biological function is assigned to this catalog item.

General note (not item-specific): small ammonium iodide salts are highly ionic and are not typical biomolecules. Any interaction with biological systems would be nonspecific ionic effects (osmolarity, ionic strength). They are not used as metabolites, cofactors, or signaling molecules.

If your research touches biointerfaces (e.g., perovskite-on-biomaterial substrates), evaluate cytocompatibility and leachables independently; this product is not intended for in vivo or clinical use.

Buffer Applications

Not typically applicable. This product is an ionic salt for materials science; it is not a conventional buffering agent, and it lacks a defined conjugate acid/base pair suitable for maintaining pH in biochemical buffers. For ionic strength adjustments or specialized electrolytes, conduct compatibility and stability testing separately.

Green Alternatives

This section discusses greener choices at the process level (general guidance; not item-specific specifications):

• Solvent stewardship
  • Prefer safer polar solvents where feasible: replace DMF with alternatives like DMSO, propylene carbonate, or gamma-valerolactone (GVL) to reduce reproductive toxicity concerns (trade-off: viscosity and drying kinetics may change).
  • Alcohol-rich systems (EtOH/iPrOH with modest water) can be explored for certain ammonium iodide salts; assess solubility and film morphology impacts.
• Process intensification
  • Use solid-state diffusion or vapor-phase post-treatments to reduce solvent volumes.
  • Employ roll-to-roll compatible, low-VOC inks; recover and recycle high boilers via closed-loop systems.
• Energy and waste
  • Lower annealing temperatures and shorter dwell times via additive engineering to cut energy use.
  • Implement in-line filtration and right-first-time DoE to minimize scrap and solvent waste.

Comparison (general, qualitative):

• DMF vs DMSO: DMSO has a better EHS profile but higher boiling point; may require modified drying protocols.
• Acetonitrile vs Alcohols: MeCN offers fast drying and good wetting but is flammable/toxic; ethanol/iPrOH are greener but may reduce solubility of iodide salts.

Greener choices must be validated experimentally for solubility, film quality, and device performance; consider full LCA implications for your process.

Pharmaceutical Uses

No pharmaceutical or therapeutic uses are claimed or supported for this item. It is supplied strictly for research use.

General formulation note (not item-specific): ammonium halides are occasionally encountered as process aids or analytical standards in manufacturing R&D, but they are not common pharmaceutical excipients. If considering any GMP-adjacent application, comprehensive impurity profiling and pharmacopeial compliance would be required; this catalog SKU does not specify such status.

Physical Properties

Item-specific values are not provided for this SKU.

• Specifications for this item
  • Melting point: Not specified for this item; refer to CoA/Spec Sheet.
  • Boiling point: Not applicable for ionic solids; decomposition typically precedes boiling (general statement; verify on CoA).
  • Density: Not specified for this item; refer to CoA/Spec Sheet.
  • Solubility: Not specified for this item; refer to CoA/Spec Sheet.
  • Refractive index: Not applicable for a solid; Not specified for this item; refer to CoA/Spec Sheet.
  • pKa/logP: Not specified for this item; refer to CoA/Spec Sheet.

General/literature expectations for diiodide salts of small diammonium cations (not item-specific):

• Physical state: typically crystalline, highly polar, often hygroscopic solids.
• Solubility profile: commonly soluble in water and polar aprotic solvents of high donor number (e.g., DMSO, DMF), and in certain alcohols; insoluble in nonpolar hydrocarbons.
• Thermal behavior: many related ammonium iodides soften and decompose upon heating, with iodide promoting thermal/photochemical darkening; exact onset is structure-dependent.
• Hygroscopicity: small ammonium iodide salts can absorb moisture; handling under dry air is recommended.

Always consult the item’s CoA/Spec Sheet for definitive physical constants and suitability for your intended use.

Quality and Grades

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

How to interpret grades for salts used in materials science (general guidance):

• Research/Materials grade: Suitable for routine synthesis, thin-film deposition, and exploratory device fabrication. May not include low-ppb metal profiling unless specified.
• Electronic/OPV/Perovskite grade (when stated): Emphasis on low alkali/alkaline-earth and transition-metal impurities, controlled water content, and low light-absorbing contaminants that can affect film morphology and optoelectronic performance.
• Anhydrous designations: For hygroscopic iodide salts, “anhydrous” indicates minimized water content at packaging; users should verify Karl Fischer water by CoA and store under desiccation.

What to check on the CoA for this item:

• Assay/purity method (e.g., titration, ion chromatography, qNMR).
• Residual halides/halates, acid/base content, and water (KF) if available.
• Trace metals (ICP-MS) if your application is sensitive (e.g., perovskite devices).
• Appearance, color, and UV-Vis baseline (for optical applications) if provided.

If your application requires specific impurity limits (metal ions, water, residual solvents), request the latest CoA/Spec Sheet for this SKU (M491905).

Reaction and Applications

Manufacturer context: Category indicates materials science; no specific application text is provided. The following are general/literature applications for diammonium iodide salts and related organic iodide salts (not item-specific):

• Perovskite materials processing:
  • Act as organic cation sources for templating lower-dimensional (Ruddlesden–Popper/Dion–Jacobson–type) iodoplumbate films when combined with PbI2 or SnI2 in solution processing.
  • Employed in post-deposition treatments to passivate halide vacancies, tune surface energetics, and improve grain boundary properties.
  • Used in antisolvent-assisted crystallization or vapor–solid ion exchange to adjust A-site cation composition.
• Ion-exchange and metathesis:
  • Provides iodide for halide exchange in quaternary ammonium salts and for converting metal halides to iodides in polar media.
• Thin-film/device fabrication workflows (general):
  • Spin coating or blade coating from DMSO/DMF/alcohol blends; subsequent soft-bake and controlled annealing under inert atmosphere with light shielding.
  • Additive engineering: ppm–percent levels of organic iodide salts can alter nucleation kinetics and film orientation.
• Supramolecular/ionic lattice assembly:
  • Formation of hydrogen-bonded ionic crystals and frameworks; potential use as structure-directing agents.

Note: The above are literature-derived application classes. For this specific SKU, verify suitability, impurity limits, and solvent compatibility on the CoA/Spec Sheet and evaluate with pilot experiments.

Reaction Conditions

Item-specific conditions are not provided; the following are general, literature-derived conditions for related applications (not item-specific recommendations):

• Solution preparation (perovskite precursor/context):
  • Solvents: Dry DMSO, DMF, or DMSO/DMF blends; alcohol co-solvents as needed for wetting.
  • Concentrations: 0.02–1.0 M ranges commonly explored depending on role (additive vs primary precursor); filter through 0.2 µm.
  • Atmosphere: Nitrogen or argon glovebox preferred; protect from light.
• Thin-film processing:
  • Spin-coating: Multi-step speeds (e.g., 1000–5000 rpm) with antisolvent drip; anneal 80–120 C (duration tuned to film and substrate). Exact values are highly system-dependent.
  • Post-treatment: Brief contact (seconds–minutes) with dilute iodide salt solutions followed by gentle bake can passivate surfaces.
• Ion-exchange/metathesis:
  • Polar solvents (DMSO/DMF/MeCN/H2O as compatible) at 20–80 C; monitor by ion chromatography or NMR.
• Stability controls:
  • Include small amounts of reducing agents (e.g., ascorbate) only if compatible, to suppress iodide oxidation; verify no adverse side reactions.

These conditions are broad starting points from literature. Optimize via design-of-experiments for your substrate, stoichiometry, and device stack. Always confirm compatibility with other components (e.g., PbI2, SnI2, transport layers).

Safety and Handling

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

General safety guidance for ammonium iodide salts (not item-specific):

• Hazards: May cause irritation to skin, eyes, and respiratory tract. Iodide salts can discolor on light exposure and may release iodine under oxidative/photolytic conditions.
• Light sensitivity: Product Data indicates “Protected from light.” Store and handle in low light; use amber glass or foil-wrapped containers when practical.
• PPE: Wear lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Handle powders in a fume hood to minimize inhalation of dust/aerosol.
• Incompatibilities: Strong oxidizers (risk of iodine/NOx release), strong bases (can shift equilibria of ammonium species), and halogenating agents. Avoid contact with acids that generate volatile acidic halides in enclosed spaces without ventilation.
• First aid (overview; defer to SDS):
  • Inhalation: Move to fresh air; seek medical attention if symptoms persist.
  • Skin/eye contact: Rinse with water for several minutes; remove contaminated clothing; obtain medical advice if irritation continues.
  • Ingestion: Rinse mouth; do not induce vomiting; seek medical advice.
• Spill/cleanup: Avoid dust formation; collect with inert absorbent; transfer to suitable waste container. Dispose according to local regulations.

Always consult the Aladdin SDS for authoritative hazard, exposure, and disposal information.

Solvent Selection

Item-specific solubility is not reported; consult the CoA/Spec Sheet. The guidance below reflects general behavior of small diammonium diiodide salts (not item-specific):

• Polarity class: Highly ionic; best handled in polar, high–donor-number solvents.
• Typical solvent choices (literature/general):
  • Water: Often freely soluble; ionic strength and pH can influence stability.
  • DMSO, DMF: Excellent solvating power for iodide salts; widely used for solution-processed films (handle in dry, low-light conditions).
  • Alcohols (MeOH/EtOH/iPrOH): Variable solubility; warming and co-solvents can assist dissolution.
  • Acetonitrile: Moderate solubility for many ammonium iodides; test empirically.
  • Weak/nonpolar solvents (ethyl acetate, toluene, hexane): Generally poor solubility.
• Practical tips:
  • Dry solvents prior to use if water content is critical (e.g., perovskite precursor inks).
  • Filter solutions (0.2–0.45 µm PTFE/NYLON) before casting to remove particulates.
  • Protect solutions from light to minimize iodide-to-iodine oxidation.

Comparison (general):

• DMSO vs DMF: DMSO offers higher donor number and thermal stability; DMF affords lower viscosity and faster drying but is more volatile. Blend ratios can tune film formation.
• Alcohol co-solvents: Aid wetting on oxide substrates and can modulate crystallization kinetics in thin-film applications.

Validate solvent compatibility and solubility with small-scale trials under your exact processing conditions.

Storage and Reconstitution

• Storage (item-specific): Protected from light (per Product Data). Temperature and humidity limits are Not specified for this item; refer to CoA/Spec Sheet.
• Shipping: Normal (per Product Data).

General handling recommendations for ammonium iodide salts (not item-specific):

• Store in a tightly sealed, light-resistant container (amber glass) within a desiccator or dry cabinet to minimize moisture uptake and iodide oxidation.
• Minimize headspace oxygen; consider inert-gas backfill after each use.
• For solution stocks, use dry, oxygen-free solvents; store in amber vials at low temperature if compatible, and remake periodically to avoid iodine formation (discard if discoloration appears).

Reconstitution (if supplied as a solid):

• Select a suitable polar solvent (e.g., DMSO/DMF/water/alcohol) based on your application; start with small volumes and gentle warming if needed.
• Filter through 0.2 µm prior to use in thin-film or analytical applications.

Always defer to the Aladdin CoA/Spec Sheet and SDS for definitive storage limits and handling instructions for SKU M491905.

Structure and Identity

• Item-specific identifiers
  • 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.
  • CAS: M491905 (catalog placeholder; not a registry number)
• Naming context (general chemistry)
  • The name “methyldiammonium diiodide” suggests a diammonium dication bearing a methyl/methylene core paired with two iodide counter‑anions (general interpretation; confirm exact structure on the CoA/Spec Sheet).
  • Typical structural motif (literature/general): a small aliphatic cation featuring two –NH3+ centers (e.g., –NH3–CHx–NH3–) balanced by I– counterions; strong ionic character and high polarity.
• Structural features (general)
  • Functional groups: primary ammonium groups (–NH3+), iodide anions (I–).
  • 2D description: a compact, non-aromatic, saturated backbone bearing cationic nitrogens; iodides act as non-coordinating/weakly coordinating counterions in bulk solid state. The salt is expected to form ionic lattices stabilized by extensive hydrogen bonding and halide interactions.
• Identity verification guidance
  • For this specific catalog item, consult the Aladdin CoA/Spec Sheet for definitive structural representation, elemental analysis, and spectral identifiers (1H/13C NMR, HRMS, IR).

Synthetic Utility

General synthetic roles for organic ammonium iodide salts (not item-specific):

• Halide source and counterion exchange:
  • Useful in metathesis to prepare iodide forms of cationic species (e.g., onium salts), exploiting iodide’s nucleophilicity and soft character.
• Template and structure-directing agent:
  • Diammonium cations can guide assembly of layered iodometallates (e.g., DJ/RP-type perovskite motifs), enabling control over dimensionality, interlayer spacing, and crystallographic orientation.
• Post-synthetic modification of films:
  • Employed in surface treatments to passivate halide vacancies and adjust surface termination, improving optoelectronic quality.
• Supramolecular materials:
  • Participation in dense hydrogen-bond networks with I– as acceptor, relevant to crystal engineering and ionic co-crystals.

Practical notes:

• Handle under dry, low-oxygen, low-light conditions to limit iodide oxidation to iodine (which can discolor films/solids).
• When conducting ion-exchange in solution, maintain anhydrous polar media and consider adding minimal base only if required for deprotonation of neutral amines (avoid excess base that can decompose ammonium salts).
• For film treatments, optimize concentration, contact time, and post-anneal to balance passivation and avoid over-iodination or surface roughening.

Target Specificity

Not applicable. This product is a small-molecule/ionic material, not a biological targeting reagent or antibody. No antigen/epitope or species reactivity is associated with this item.