{"schema":"https://ver.cy/schemas/card/1.0.0","id":"vr.tr.isobutyl-chloride","code":"thing-q1827019","url":"https://ver.cy/models/thing/q1827019/","name":"isobutyl chloride","alternateNames":[],"kind":"thing","status":"published","version":"0.1.0-research.1","language":"en","classifiers":{"family":"Thing Registry","category":"Physical world and living systems","entryKind":"thing","plane":"PHY","domain":["PHY.MAT"],"industry":[],"navPath":"","tags":[],"facets":{}},"whatItIs":"Isobutyl chloride, systematically named 1-chloro-2-methylpropane, is a primary alkyl chloride with molecular formula C4H9Cl and structure (CH3)2CHCH2Cl, occurring as a volatile, flammable liquid at ordinary room temperature.","purpose":"Enable an agent to identify isobutyl chloride, assess a particular sample and determine whether its composition, condition and documented controls support an intended use.","scope":{"in":["Molecular identity of 1-chloro-2-methylpropane and its distinction from other butyl chlorides","Sample composition, grade, impurities and analytical evidence","Physical properties with measurement conditions and uncertainty","Reactivity, compatibility and suitability for an intended chemical role","Hazard, exposure, storage and regulatory records tied to the actual substance or sample"],"out":["The general chloride concept, chloride-ion chemistry and chloride salts","Separate models of n-butyl chloride, sec-butyl chloride and tert-butyl chloride","Isobutyryl chloride and other acyl chlorides","Commercial formulations containing isobutyl chloride as one constituent","Manufacturing plant design, synthesis procedures and downstream product models"],"boundaries":[]},"distinguishingFeatures":["Require connectivity (CH3)2CHCH2Cl: chlorine is attached to a terminal CH2 group adjacent to a branched carbon; a formula match alone cannot establish this identity. [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/isobutyl%20chloride)","Cross-check the name 1-chloro-2-methylpropane against CAS 513-36-0 and InChIKey QTBFPMKWQKYFLR-UHFFFAOYSA-N. [NIST Chemistry WebBook](https://webbook.nist.gov/cgi/cbook.cgi?Name=Isobutyl_chloride)","Reject assignments to other butyl chloride isomers when analytical evidence or the recorded structure places chlorine on a different carbon skeleton or substitution site.","Distinguish the covalently bound chlorine in this molecule from free chloride ion; a chloride-ion result alone does not identify or quantify isobutyl chloride.","Resolve the easily confused names isobutyl chloride and isobutyryl chloride by checking the molecular structure, particularly whether an acyl carbonyl group is present."],"structure":{"bundles":[{"id":"molecular-identity-and-boundaries","name":"Molecular identity and boundaries","description":"Establishes exactly which chlorinated C4 molecule the entry represents.","layers":[{"id":"structure-and-identifiers","name":"Structure and identifiers","description":"Connects the registry entry to a specific molecular structure and external identity records.","findings":[{"id":"isobutyl-connectivity","name":"Isobutyl connectivity","description":"Record the branched carbon skeleton and terminal carbon-chlorine bond as the identity anchor.","questions":[{"text":"Does the recorded structure specify (CH3)2CHCH2Cl rather than another connectivity with formula C4H9Cl?","id":"isobutyl-connectivity-q01","kind":"definition"},{"text":"Which authoritative records establish agreement among CAS 513-36-0, PubChem CID 10554 and the verified EC identifier?","id":"isobutyl-connectivity-q02","kind":"provenance"}]}]},{"id":"neighbouring-chemical-identities","name":"Neighbouring chemical identities","description":"Controls confusion with other butyl chlorides, chloride ion and isobutyryl chloride.","findings":[{"id":"identity-exclusion-tests","name":"Identity exclusion tests","description":"Require structure-sensitive evidence where a name, elemental composition or chloride test is ambiguous.","questions":[{"text":"What analytical evidence distinguishes this sample from n-butyl, sec-butyl and tert-butyl chloride?","id":"identity-exclusion-tests-q01","kind":"measurement"},{"text":"Does the evidence describe this neutral organochlorine compound, free chloride or an acyl chloride requiring a neighbouring model?","id":"identity-exclusion-tests-q02","kind":"boundary"}]}]}]},{"id":"sample-composition-and-grade","name":"Sample composition and grade","description":"Describes the actual material offered or held as isobutyl chloride.","layers":[{"id":"assay-and-isomer-profile","name":"Assay and isomer profile","description":"Separates overall assay from identity confirmation and isomer contamination.","findings":[{"id":"quantified-isobutyl-chloride-content","name":"Quantified isobutyl chloride content","description":"Tie purity claims to the lot, analytical method, calibration and reporting basis.","questions":[{"text":"Is the reported purity a calibrated mass fraction, mole fraction or chromatographic area percentage?","id":"quantified-isobutyl-chloride-content-q01","kind":"measurement"},{"text":"Does the method resolve the other butyl chloride isomers at limits appropriate to the intended use?","id":"quantified-isobutyl-chloride-content-q02","kind":"measurement"}]}]},{"id":"water-impurities-and-lot-history","name":"Water, impurities and lot history","description":"Tracks non-target constituents and evidence of sample change.","findings":[{"id":"use-relevant-impurity-burden","name":"Use-relevant impurity burden","description":"Record water, residual organic constituents, acidity and declared additives without assuming their presence.","questions":[{"text":"Which water, acidity and organic impurity measurements are available for this lot, and what are their detection limits?","id":"use-relevant-impurity-burden-q01","kind":"measurement"},{"text":"Do opening history, storage conditions or expired analytical evidence require retesting before the intended use?","id":"use-relevant-impurity-burden-q02","kind":"action"}]}]}]},{"id":"phase-volatility-and-partitioning","name":"Phase, volatility and partitioning","description":"Connects physical constants to the conditions experienced by an isobutyl chloride sample.","layers":[{"id":"phase-and-transition-evidence","name":"Phase and transition evidence","description":"Records measured state and defensible phase-transition values.","findings":[{"id":"conditioned-phase-properties","name":"Conditioned phase properties","description":"Keep melting, freezing and boiling observations attached to pressure, sample purity and source.","questions":[{"text":"What melting or freezing point and boiling point are supported by evaluated measurements, with units and pressure?","id":"conditioned-phase-properties-q01","kind":"measurement"},{"text":"Is the sample's observed phase consistent with its temperature, pressure and measured composition?","id":"conditioned-phase-properties-q02","kind":"measurement"}]}]},{"id":"vapour-and-liquid-distribution","name":"Vapour and liquid distribution","description":"Supports evaporation, volume conversion and contact-with-water assessments.","findings":[{"id":"temperature-dependent-distribution","name":"Temperature-dependent distribution","description":"Record vapour pressure, density and water solubility with their applicable conditions.","questions":[{"text":"Which measured vapour-pressure and density values or correlations apply at the proposed operating temperature?","id":"temperature-dependent-distribution-q01","kind":"measurement"},{"text":"What water-solubility or partitioning evidence supports predictions about separate phases and vapour release?","id":"temperature-dependent-distribution-q02","kind":"provenance"}]}]}]},{"id":"chemical-role-and-compatibility","name":"Chemical role and compatibility","description":"Assesses intended use through the specific connectivity and composition of isobutyl chloride.","layers":[{"id":"transformation-suitability","name":"Transformation suitability","description":"Connects an intended chemical role to evidence about this substrate.","findings":[{"id":"substrate-specific-use-evidence","name":"Substrate-specific use evidence","description":"Evaluate proposed substitution or elimination behaviour without converting general reaction rules into guaranteed outcomes.","questions":[{"text":"What evidence specifically supports isobutyl chloride for the intended transformation and required selectivity?","id":"substrate-specific-use-evidence-q01","kind":"provenance"},{"text":"Which purity, water and competing-reaction constraints determine whether this lot is suitable?","id":"substrate-specific-use-evidence-q02","kind":"action"}]}]},{"id":"contact-materials-and-stability","name":"Contact materials and stability","description":"Assesses compatibility with co-stored substances and equipment surfaces.","findings":[{"id":"documented-contact-envelope","name":"Documented contact envelope","description":"Require evidence for chemical compatibility and container or seal performance under expected conditions.","questions":[{"text":"Which incompatible substances and instability conditions are documented specifically for isobutyl chloride?","id":"documented-contact-envelope-q01","kind":"provenance"},{"text":"Are the proposed container, seals and transfer components supported for the expected concentration, temperature and contact duration?","id":"documented-contact-envelope-q02","kind":"action"}]}]}]},{"id":"hazards-exposure-and-regulatory-use","name":"Hazards, exposure and regulatory use","description":"Links handling decisions to verified safety and jurisdictional records.","layers":[{"id":"fire-and-exposure-evidence","name":"Fire and exposure evidence","description":"Collects the evidence needed to assess ignition and contact or inhalation risks.","findings":[{"id":"verified-hazard-basis","name":"Verified hazard basis","description":"Separate measured ignition properties, classified health hazards and unresolved exposure information.","questions":[{"text":"What flash point, test method, flammable limits and GHS categories are supported by current records for the supplied material?","id":"verified-hazard-basis-q01","kind":"provenance"},{"text":"Which substance-specific occupational exposure limits apply, with jurisdiction and averaging period, and where is no limit established?","id":"verified-hazard-basis-q02","kind":"boundary"}]}]},{"id":"handling-transport-and-disposition","name":"Handling, transport and disposition","description":"Translates applicable records into decisions for a particular quantity and operation.","findings":[{"id":"operation-specific-permissibility","name":"Operation-specific permissibility","description":"Link proposed storage, transfer, shipment or disposal to the sample's documented identity and condition.","questions":[{"text":"What ventilation, ignition control, protective equipment and storage conditions does the verified assessment require for this operation?","id":"operation-specific-permissibility-q01","kind":"action"},{"text":"Which transport description, packaging requirements and waste classification apply to this composition, quantity and jurisdiction?","id":"operation-specific-permissibility-q02","kind":"action"}]}]}]},{"id":"evidence-and-external-alignment","name":"Evidence and external alignment","description":"What the world already says about this thing, gathered so the model can be checked against it.","layers":[{"id":"reported-evidence","name":"Reported evidence","description":"Findings from the breadth pass, kept separate from the structural claims.","findings":[{"id":"evidence-confidence-notes","name":"Check these first","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these check these first hold for the sense of isobutyl chloride this model covers, and on what evidence?","id":"evidence-confidence-notes-q01","kind":"provenance"}]},{"id":"evidence-identifiers","name":"Identifiers and schemes","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these identifiers and schemes hold for the sense of isobutyl chloride this model covers, and on what evidence?","id":"evidence-identifiers-q01","kind":"provenance"}]},{"id":"evidence-standards-and-regulation","name":"Standards and regulation","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these standards and regulation hold for the sense of isobutyl chloride this model covers, and on what evidence?","id":"evidence-standards-and-regulation-q01","kind":"provenance"}]},{"id":"evidence-real-world-use","name":"Real-world use","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these real-world use hold for the sense of isobutyl chloride this model covers, and on what evidence?","id":"evidence-real-world-use-q01","kind":"provenance"}]},{"id":"evidence-measurements","name":"Typical measurements","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these typical measurements hold for the sense of isobutyl chloride this model covers, and on what evidence?","id":"evidence-measurements-q01","kind":"provenance"}]},{"id":"evidence-failure-modes-and-hazards","name":"Failure modes and hazards","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these failure modes and hazards hold for the sense of isobutyl chloride this model covers, and on what evidence?","id":"evidence-failure-modes-and-hazards-q01","kind":"provenance"}]},{"id":"evidence-regional-variation","name":"Regional variation","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these regional variation hold for the sense of isobutyl chloride this model covers, and on what evidence?","id":"evidence-regional-variation-q01","kind":"provenance"}]},{"id":"evidence-neighbours","name":"Neighbouring kinds and how to tell them apart","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these neighbouring kinds and how to tell them apart hold for the sense of isobutyl chloride this model covers, and on what evidence?","id":"evidence-neighbours-q01","kind":"provenance"}]}]}]}]},"agentConduct":{"may":["Describe isobutyl chloride and its use as a chemical intermediate in general terms.","Report hazards, storage and disposal rules from safety data sheets."],"mustNot":["Store or use it near ignition sources.","Handle it without the ventilation and protection the safety data sheet requires.","Release it into drains, soil or waters.","Ship it without correct hazard labelling."],"requiresHuman":["Approving bulk transfer or disposal of the chemical."]},"ethics":{"considerations":["Volatile flammable liquids endanger workers and neighbours in fires.","Chlorinated organics can pollute water."],"affectedParties":["Chemical workers","Communities near plants","Emergency responders"]},"owners":{"steward":"The laboratory or business that holds it; chemical safety authorities regulate supply and use.","roles":[],"masterSystems":["National chemical inventories"]},"relations":[{"target":"Q11173","type":"parent","note":"registry parent class"}],"interaction":{"identity":{"applicability":"required","items":["Vercy registry: vr.tr.isobutyl-chloride","Wikidata: Q1827019 (https://www.wikidata.org/wiki/Q1827019)"]},"properties":{"applicability":"required","items":["Molecular identity: 1-chloro-2-methylpropane; C4H9Cl; connectivity (CH3)2CHCH2Cl","Identifier agreement: Registry vr.tr.isobutyl-chloride; CAS 513-36-0; PubChem CID 10554; EC identifier pending verification","Assay and isomeric purity: Mass fraction %, mole fraction % or chromatographic area %, with method and reporting basis","Water and impurity profile: Water in mg/kg; identified organic impurities in mg/kg or mass %; acidity with specified method","Physical state and observation conditions: Solid, liquid, vapour or multiphase; temperature in °C and pressure in kPa","Phase-transition properties: Melting or freezing point and boiling point in °C, with pressure, purity and source","Volatility and liquid properties: Vapour pressure in kPa; density in g/mL; water solubility in mg/L; each at a stated temperature","Ignition-related properties: Flash point in °C with test method; flammable limits in volume % where verified","Applicable hazard and exposure record: Dated SDS; jurisdiction-specific GHS categories; exposure limits in ppm or mg/m³ with averaging period; unknown recorded explicitly"]},"recognition":{"applicability":"required","items":["A colourless, volatile liquid with a solvent-like odour.","Containers carry flammable liquid hazard pictograms."]},"capabilities":{"applicability":"required","items":["Match a labelled material to isobutyl chloride using structure, identifiers and analytical evidence.","Compare available lots against required assay, isomeric purity and water specifications.","Assess whether observed phase and volatility are consistent with the sample conditions.","Evaluate documented suitability for an intended reagent or solvent role.","Select or flag handling, storage and transfer conditions using verified compatibility and hazard records.","Route unsuitable or insufficiently characterised material for additional testing or an appropriate waste assessment."]},"hazards":{"applicability":"required","items":["Highly flammable vapours.","Toxic combustion products in fires.","Skin, eye and respiratory irritation."]},"interfaces":{"applicability":"required","items":["Globally Harmonized System of Classification and Labelling of Chemicals (GHS), United Nations."]},"context":{"applicability":"required","items":["Isobutyl chloride is encountered in chemical laboratories and manufacturing as an intermediate in organic synthesis.","Its use depends on confirmed chemical identity and purity because other compounds with the same molecular formula can have different behavior."]}},"sources":[{"title":"Wikidata item Q1827019: isobutyl chloride","url":"https://www.wikidata.org/wiki/Q1827019","note":"identity and sense of the item"},{"title":"Wikipedia: Isobutyl chloride","url":"https://en.wikipedia.org/wiki/Isobutyl_chloride","note":"general description of the item"}],"openQuestions":["Which EC identifier and current jurisdiction-specific GHS classifications are authoritative for CAS 513-36-0, and where do supplier classifications differ?","Which evaluated melting, boiling, vapour-pressure, density and solubility measurements should be adopted, with conditions and uncertainty?","Are substance-specific occupational exposure limits established in the intended jurisdictions, and what evidence governs assessment where none exists?","Which impurities, including other butyl chloride isomers, water and residual organics, are documented in available commercial grades and materially affect intended uses?","What evidence establishes storage stability, contact-material compatibility and reaction suitability specifically for isobutyl chloride?"],"resources":{"spec":"/models/things/publications/thing-q1827019/spec.json"},"provenance":{"origin":"thing registry research (pass 2)","builtFrom":["models/things/publications/thing-q1827019/spec.json"],"providers":["Codex"],"researchStatus":"unreviewed","generatedAt":"2026-09-12T10:38:00Z","builder":"tools/build_cards.py@1.0.0"},"completeness":{"sections":{"classifiers":"filled","whatItIs":"filled","purpose":"filled","distinguishingFeatures":"filled","structure":"filled","agentConduct":"filled","ethics":"filled","owners":"filled","relations":"filled","interaction.identity":"filled","interaction.properties":"filled","interaction.recognition":"filled","interaction.capabilities":"filled","interaction.hazards":"filled","interaction.interfaces":"filled","interaction.context":"filled","sources":"filled"},"notes":{"_gate":"Published through the thing publication gate 1.0 on 2026-10-07T10:10:27+00:00: completeness 1.00; sense: Wikidata description; 2 live sources; review by codex: pass"},"score":1.0}}