iodosobenzene
Enable an agent to recognise iodosobenzene, assess the condition and oxidising capacity of a particular sample, and judge its suitability for a proposed use.
Bundle → Layer → Finding → Questions Filled
6 bundles · 11 layers · 16 findings · 26 questions
Identity and chemical boundaries Establishes what counts as iodosobenzene and separates it from adjacent iodine compounds.
Identifier resolution
Connects registry identity to chemical reference records.
Concordant identity record
Record agreement among name, formula and external identifiers. The identity values and formula-unit mass above are supported by [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/Iodosylbenzene).
- Do the sample label and reference record agree on C6H5IO and CAS 536-80-1? definition
- Which source and revision establish each identifier, including EC 208-648-8? provenance
Neighbouring iodine species
Separates the intended substance from related reagents and mixtures.
Species-specific boundary
Require chemical evidence to distinguish PhIO from PhI, PhIO2 and ligand-bearing iodine reagents.
- What analytical evidence distinguishes iodosobenzene from iodobenzene and iodoxybenzene in this sample? measurement
- Does the record describe iodosobenzene itself, a mixture containing it or a different iodine reagent? boundary
Composition and active assay Relates weighed material to actual iodosobenzene content and measurable oxidising capacity.
Sample composition
Accounts for moisture, residual solvents and chemically distinct impurities.
Composition basis
Express sample composition on a declared basis and distinguish measured components from suspected impurities.
- What fractions of the sample are iodosobenzene, water, residual solvent and identified iodine-containing impurities? measurement
- Are the purity values reported for the material as received or corrected to a dry basis? boundary
Oxidant capacity
Captures method-dependent active content and its limits.
Assay selectivity and equivalents
Separate total oxidising capacity from species-specific PhIO content and define the convention used for equivalents.
- What active oxidant content was measured, by which method and on what date? measurement
- Could other oxidising iodine species contribute to the assay, and how does that affect amount calculations? action
Associated solid and phase behaviour Models the relationship between PhIO composition, bulk association and behaviour in a medium.
Solid form and accessibility
Records physical presentation and evidence about solid-state association.
Characterised solid state
Track association, particle condition and wetness without assigning an unsupported chain length or crystal form.
- What diffraction, spectroscopic or other evidence characterises the association state of this solid? measurement
- What particle size, aggregation and wetness describe the material being assessed? measurement
Medium and temperature response
Distinguishes physical changes from chemical changes under specified conditions.
Condition-qualified properties
Attach conditions and event identity to solubility and thermal observations.
- Does disappearance of solid in the stated medium demonstrate dissolution, depolymerisation or reaction? boundary
- Which measured thermal events are melting or decomposition, and what evidence supports any reported boiling point? measurement
Oxygen transfer and material change Connects oxidant function to application conditions and changes in the sample.
Application-specific reactivity
Records evidence supporting a defined reagent role.
Supported oxygen-transfer use
Treat oxygen-donor identity as a starting point and require application evidence for effectiveness and selectivity.
- Which documented transformation establishes suitability for the intended substrate, catalyst and medium? provenance
- What assay, water-content and dispersion requirements must this sample satisfy for that use? action
Ageing and conversion
Tracks loss or alteration of the original PhIO material.
Current material status
Assess changes through analytical evidence and investigate possible conversion to other iodine species without assuming a degradation route.
- How have species composition and active assay changed since preparation or receipt? measurement
- What observed change or elapsed validity period triggers reassay or rejection for the intended use? action
Hazards and use constraints Links the actual PhIO material to verified handling and jurisdictional requirements.
Reactive material hazards
Identifies which hazard conclusions apply to the sample and intended conditions.
Evidence-based handling envelope
Record established thermal, mechanical and incompatibility hazards with their test conditions and applicability.
- What evidence establishes thermal decomposition, impact or friction sensitivity for the relevant material form? provenance
- Which verified incompatibilities and handling limits constrain the proposed use of this PhIO sample? action
Classification and disposition
Resolves current classification, exposure guidance and disposal routing.
Applicable regulatory record
Keep jurisdiction-specific requirements separate from unverified supplier statements or missing data.
- Which current SDS and official records establish applicable GHS classification, transport status and any substance-specific exposure limit? provenance
- How must unused PhIO and residues containing remaining oxidant be classified for the applicable waste route? action
Evidence and external alignment What the world already says about this thing, gathered so the model can be checked against it.
Reported evidence
Findings from the breadth pass, kept separate from the structural claims.
Check these first
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these check these first hold for the sense of iodosobenzene this model covers, and on what evidence? provenance
Identifiers and schemes
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these identifiers and schemes hold for the sense of iodosobenzene this model covers, and on what evidence? provenance
Real-world use
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these real-world use hold for the sense of iodosobenzene this model covers, and on what evidence? provenance
Typical measurements
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these typical measurements hold for the sense of iodosobenzene this model covers, and on what evidence? provenance
Failure modes and hazards
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these failure modes and hazards hold for the sense of iodosobenzene this model covers, and on what evidence? provenance
Neighbouring kinds and how to tell them apart
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these neighbouring kinds and how to tell them apart hold for the sense of iodosobenzene this model covers, and on what evidence? provenance
Classifiers Filled
- Family
- Thing Registry
- Category
- Physical world and living systems
- Entry kind
- thing
- Plane
- PHY
- Domain
- PHY.MAT
What it is Filled
Iodosobenzene is an organoiodine(III) compound of empirical formula C6H5IO, commonly written PhIO, that has a polymeric solid-state structure and serves as an oxidant and oxygen-transfer reagent.
In scope
- Iodosobenzene identity, synonyms and identifiers
- Sample composition, purity, water content and active oxidant assay
- Solid-state association, dispersion and condition-dependent physical properties
- Oxygen-transfer capability and changes during storage or use
- Substance-specific hazard evidence and regulatory identity
Out of scope
- Iodobenzene and iodoxybenzene as independently modelled substances
- Other hypervalent iodine reagents and substituted iodosobenzenes
- Commercial formulations, packaging and supplier businesses
- Complete synthesis procedures and reaction-process models
- Laboratory equipment, facility controls and waste-treatment processes
Why it exists Filled
Enable an agent to recognise iodosobenzene, assess the condition and oxidising capacity of a particular sample, and judge its suitability for a proposed use.
Distinguishing features Filled
- Identity records should match iodosylbenzene, formula C6H5IO, CAS 536-80-1 and PubChem CID 92125; these are recorded together in [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/Iodosylbenzene).
- Distinguish it from oxygen-free iodobenzene by composition and analytical identity; iodobenzene has formula C6H5I and CAS 591-50-4 according to [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/iodobenzene).
- Distinguish the one-oxygen PhIO composition from the two-oxygen PhIO2 composition of iodoxybenzene using species-resolving evidence rather than total oxidising capacity alone.
- Do not equate a drawn PhIO unit with an isolated monomer in the solid: polymeric association and depolymerisation during reaction are described in [Organic Syntheses](https://www.orgsyn.org/demo.aspx?prep=v70p0215).
- Exclude ligand-bearing iodine reagents such as phenyliodine diacetate even when they serve related oxidative roles; matching function does not establish matching composition.
What robots and AI may and may not do Filled
Must not
- Handle it outside a supervised laboratory.
- Heat or store it in a way that risks explosive decomposition.
- Provide preparation procedures to people outside a supervised laboratory.
- Dispose of oxidizer waste with combustible waste.
Only with a human decision
- Approving storage or disposal of the reagent.
May
- Explain iodosobenzene as a hypervalent iodine oxidant in synthesis, in general terms.
- Report hazards and storage rules from safety data sheets.
Moral aspects Filled
- Energetic oxidants endanger laboratory workers and neighbours if mishandled.
- Safe disposal protects waste workers.
Who is affected
- Laboratory workers
- Waste handlers
- Emergency responders
Owners Filled
Steward
The laboratory or business that holds it; chemical safety authorities regulate supply and use.
Links to other meta-models Filled
parent
- Q11173 - registry parent class
What else AI and robots need to interact with it Filled
Identity and identifiers required Filled
- Vercy registry: vr.tr.iodosobenzene
- Wikidata: Q2179522 (https://www.wikidata.org/wiki/Q2179522)
Direct properties required Filled
- Chemical identity: Iodosobenzene / iodosylbenzene / PhIO; C6H5IO; CAS 536-80-1; PubChem CID 92125; EC 208-648-8
- Formula-unit molar mass: 220.01 g/mol
- Chemical purity: Mass fraction or percent, with method and wet-sample or dry-sample basis
- Active oxidant assay: mmol oxidising equivalents/g, with equivalence convention, method and assay date
- Water and residual solvent content: Mass percent for each measured component
- Association and physical presentation: Associated solid, wet solid, suspension or characterised dissolved species; evidence and conditions required
- Solubility and dispersion: g/L or mol/L for solubility; particle-size distribution in µm where relevant; solvent, temperature and method
- Thermal behaviour: °C with event type, pressure, heating rate and method; distinguish melting from decomposition
- Storage and reassessment state: Within documented specification, reassay required, degraded or unknown
- Hazard and regulatory evidence: Applicable SDS and official records, with jurisdiction, revision date, material form and classification
Recognition required Filled
- A pale yellow amorphous solid.
- Kept in labelled containers away from heat.
Capabilities and actions required Filled
- Resolve a labelled sample to the registry identity and reject similarly named reagents.
- Calculate an assay-corrected reagent amount with an explicit equivalence and moisture basis.
- Assess whether dispersion, solvent and sample condition support a documented oxygen-transfer use.
- Compare stored material with its earlier assay and determine whether reassessment is needed.
- Retrieve applicable handling and disposal requirements from current substance-specific evidence.
Hazards and failure modes required Filled
- Explosive decomposition on heating.
- Fire with combustible materials.
- Skin and eye irritation.
Standards and interfaces required Filled
- Globally Harmonized System of Classification and Labelling of Chemicals (GHS), United Nations.
Context of use required Filled
- Iodosobenzene is encountered mainly in chemical research as an oxidant and oxygen-transfer reagent.
- It is used in studies of organic oxidation and metal-mediated reactions where the identity and condition of the reagent affect interpretation of results.
Sources Filled
- Wikidata item Q2179522: iodosobenzene - identity and sense of the item
- Wikipedia: Iodosobenzene - general description of the item
Open questions
- Which validated assays distinguish iodosobenzene content from total oxidising capacity when iodoxybenzene or other iodine species are present?
- How do water content, particle condition and solid-state association affect storage stability and performance in specific reaction media?
- Which reported thermal constants represent decomposition rather than melting, and are credible boiling-point measurements available?
- What current primary evidence establishes hazard classification, thermal or mechanical sensitivity, transport status and any substance-specific exposure limits?
- Which storage-dependent conversion pathways and analytical acceptance limits justify a reassay interval for a particular grade of iodosobenzene?
Machine files
Provenance
thing registry research (pass 2) · unreviewed
Built from: models/things/publications/thing-q2179522/spec.json