{"schema":"https://ver.cy/schemas/card/1.0.0","id":"vr.tr.ethyl-chloroacetate","code":"thing-q424825","url":"https://ver.cy/models/thing/q424825/","name":"ethyl chloroacetate","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":"Ethyl chloroacetate is the ethyl ester of chloroacetic acid, a chlorinated organic compound with the structure ClCH2C(=O)OCH2CH3 and molecular formula C4H7ClO2.","purpose":"Enable an agent to identify ethyl chloroacetate, assess the condition and suitability of a sample, and determine the evidence and controls required for its intended use.","scope":{"in":["Molecular identity of the ethyl ester of chloroacetic acid and its authoritative identifiers","Sample purity, water content, acidity, impurities and intended-use grade","Phase and physical properties with measurement conditions","Stability, chemical compatibility and evidence of deterioration","Exposure hazards, environmental hazards and jurisdiction-specific classification"],"out":["Manufacturing routes and operating instructions for synthesis plants","Commercial product packaging, pricing and supplier inventory","Complete models of chloroacetic acid, ethyl acetate or other neighbouring compounds","Reaction procedures and the identities of downstream products","Facility ventilation design, emergency response operations and clinical treatment"],"boundaries":[]},"distinguishingFeatures":["Require connectivity ClCH2C(=O)OCH2CH3: chlorine is on the carbon adjacent to the carbonyl, and the ester has an ethyl group. [ICSC 1081](https://www.inchem.org/documents/icsc/icsc/eics1081.htm)","Distinguish it from ethyl acetate by the chlorine substituent on the acid-derived portion of the molecule.","Distinguish it from methyl chloroacetate by the two-carbon ethoxy group rather than a methoxy group.","Distinguish it from chloroacetyl chloride by the ester linkage rather than an acyl chloride linkage.","Distinguish it from 2-chloroethyl acetate by atom connectivity; a matching molecular formula alone cannot establish identity."],"structure":{"bundles":[{"id":"chloroacetate-identity","name":"Chloroacetate identity","description":"Establish exactly which chlorinated ester the entry denotes.","layers":[{"id":"molecular-connectivity","name":"Molecular connectivity","description":"Resolve chlorine position and the ethyl ester linkage.","findings":[{"id":"ethyl-chloroacetate-structure","name":"Ethyl chloroacetate structure","description":"Require structural evidence that distinguishes an alpha-chlorinated acetate ester from an acyl chloride or a chlorinated alcohol-derived ester.","questions":[{"text":"Does the structure show ClCH2C(=O)OCH2CH3, with chlorine on the acid-derived carbon?","id":"ethyl-chloroacetate-structure-q01","kind":"definition"},{"text":"What analytical or authoritative structural evidence excludes 2-chloroethyl acetate and chloroacetyl chloride?","id":"ethyl-chloroacetate-structure-q02","kind":"boundary"}]}]},{"id":"identifier-reconciliation","name":"Identifier reconciliation","description":"Connect registry, chemical and supplier records without conflating their subjects.","findings":[{"id":"compound-record-alignment","name":"Compound record alignment","description":"Record identifier authorities and distinguish substance identity from product and batch identity.","questions":[{"text":"Which inspected records connect CAS 105-39-5, EC 203-294-0 and PubChem CID 7751 to this structure?","id":"compound-record-alignment-q01","kind":"provenance"},{"text":"Does an existing Vercy world model already own this exact compound, requiring a link instead of another publication?","id":"compound-record-alignment-q02","kind":"boundary"}]}]}]},{"id":"assay-and-grade","name":"Assay and grade","description":"Determine what a physical sample contains and which uses its composition supports.","layers":[{"id":"identity-and-assay-evidence","name":"Identity and assay evidence","description":"Separate confirmation of the major component from quantitative purity assessment.","findings":[{"id":"interpretable-assay","name":"Interpretable assay","description":"Require the assay basis, method and batch-specific evidence before using a purity claim.","questions":[{"text":"What method confirms ethyl chloroacetate identity independently of the assay percentage?","id":"interpretable-assay-q01","kind":"measurement"},{"text":"Is the reported assay a GC area percentage, calibrated mass fraction or another quantity, and what impurities can that method miss?","id":"interpretable-assay-q02","kind":"measurement"}]}]},{"id":"water-acidity-and-impurities","name":"Water, acidity and impurities","description":"Assess contaminants relevant to ester condition and reaction suitability.","findings":[{"id":"use-specific-composition-limits","name":"Use-specific composition limits","description":"Treat water, free acid, residual solvents and related chlorinated compounds as analytes to investigate, not presumed constituents.","questions":[{"text":"What measured water, acidity and impurity profile does this batch have, with detection limits and sampling date?","id":"use-specific-composition-limits-q01","kind":"measurement"},{"text":"Which composition limits must this batch meet for the proposed use, and what evidence supports those limits?","id":"use-specific-composition-limits-q02","kind":"action"}]}]}]},{"id":"phase-and-volatility","name":"Phase and volatility","description":"Describe how ethyl chloroacetate behaves under recorded thermal and environmental conditions.","layers":[{"id":"conditioned-physical-properties","name":"Conditioned physical properties","description":"Attach conditions and methods to thermal transitions and density.","findings":[{"id":"physical-consistency-check","name":"Physical consistency check","description":"Use property measurements as supporting evidence while retaining source discrepancies and missing conditions.","questions":[{"text":"Are the sample's phase and density consistent with its measured temperature, pressure and assay?","id":"physical-consistency-check-q01","kind":"measurement"},{"text":"What pressure, sample purity and method accompany each reported boiling or melting point?","id":"physical-consistency-check-q02","kind":"provenance"}]}]},{"id":"vapor-and-water-contact","name":"Vapor and water contact","description":"Separate evaporation, dissolution and chemical change during contact with water.","findings":[{"id":"time-dependent-partitioning","name":"Time-dependent partitioning","description":"Require temperature and contact-time evidence before treating measured aqueous concentration as equilibrium solubility.","questions":[{"text":"What vapor-pressure data apply at the proposed handling temperature, and how were they measured?","id":"time-dependent-partitioning-q01","kind":"measurement"},{"text":"Does the aqueous measurement quantify unchanged ethyl chloroacetate, and were reaction, pH and contact time controlled?","id":"time-dependent-partitioning-q02","kind":"measurement"}]}]}]},{"id":"reactivity-and-storage-condition","name":"Reactivity and storage condition","description":"Track how the ester and chlorinated carbon affect compatibility and retention of usable material.","layers":[{"id":"reactive-site-compatibility","name":"Reactive-site compatibility","description":"Evaluate the ester functionality and carbon bearing chlorine when assessing proposed contacts.","findings":[{"id":"documented-contact-behavior","name":"Documented contact behavior","description":"Separate an intended chemical transformation from an unintended incompatibility and require evidence at relevant conditions.","questions":[{"text":"For each proposed reagent or contact material, what evidence addresses reaction at the ester group or chlorine-bearing carbon?","id":"documented-contact-behavior-q01","kind":"action"},{"text":"Which concentration, temperature and contact-time conditions limit the applicability of that compatibility evidence?","id":"documented-contact-behavior-q02","kind":"boundary"}]}]},{"id":"storage-and-deterioration","name":"Storage and deterioration","description":"Relate storage history to analytical condition and remaining suitability.","findings":[{"id":"condition-based-reassessment","name":"Condition-based reassessment","description":"Require sample-specific evidence after storage excursions, moisture exposure or changes in analytical results.","questions":[{"text":"What temperature, closure, moisture-exposure and opening history is documented for this ethyl chloroacetate sample?","id":"condition-based-reassessment-q01","kind":"provenance"},{"text":"Which changes in assay, water, acidity or impurity profile require retesting, quarantine or rejection for the intended use?","id":"condition-based-reassessment-q02","kind":"action"}]}]}]},{"id":"hazards-and-permitted-handling","name":"Hazards and permitted handling","description":"Connect toxic exposure, ignition and environmental risks to applicable handling requirements.","layers":[{"id":"exposure-and-ignition","name":"Exposure and ignition","description":"Assess skin contact, inhalation and vapor ignition without relying on smell or appearance.","findings":[{"id":"task-specific-control-evidence","name":"Task-specific control evidence","description":"Record applicable exposure criteria and evidence that containment and protective materials suit the task.","questions":[{"text":"Which current exposure limits and skin notations apply, and how are absent limits distinguished from limits not yet researched?","id":"task-specific-control-evidence-q01","kind":"provenance"},{"text":"What evidence supports ventilation, glove permeation resistance and ignition controls for the intended temperature, quantity and contact duration?","id":"task-specific-control-evidence-q02","kind":"action"}]}]},{"id":"classification-transport-and-release","name":"Classification, transport and release","description":"Keep chemical hazard identity distinct from transport authorization and waste classification.","findings":[{"id":"applicable-regulatory-record","name":"Applicable regulatory record","description":"Bind each classification to its jurisdiction, revision and material scope, including concentration where relevant.","questions":[{"text":"Which current SDS and regulatory records establish the GHS and transport classifications for this material and shipment mode?","id":"applicable-regulatory-record-q01","kind":"provenance"},{"text":"What composition and jurisdictional evidence determines the permitted waste route for unused substance or contaminated residues?","id":"applicable-regulatory-record-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 ethyl chloroacetate 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 ethyl chloroacetate 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 ethyl chloroacetate 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 ethyl chloroacetate 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 ethyl chloroacetate 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 ethyl chloroacetate 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 ethyl chloroacetate 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 ethyl chloroacetate this model covers, and on what evidence?","id":"evidence-neighbours-q01","kind":"provenance"}]}]}]}]},"agentConduct":{"may":["Identify ethyl chloroacetate from its label and analytical data and report its purity.","Report storage conditions, container state and safety data for a held stock."],"mustNot":["Assist anyone in using it to harm people or in producing harmful agents from it.","Give procedures or quantities that go beyond what its safety data sheet states for safe handling.","Store it near heat, ignition sources or incompatible chemicals.","Pour it into drains or release its vapour where people are present."],"requiresHuman":["Transferring or shipping it between sites.","Responding to a spill or exposure beyond calling emergency help."]},"ethics":{"considerations":["It is toxic and irritating, so careless handling harms workers and bystanders.","Reactive intermediates can be diverted to harmful purposes."],"affectedParties":["Laboratory and plant workers","People near spills","Aquatic life"]},"owners":{"steward":"The registered business or laboratory that holds the stock.","roles":[],"masterSystems":["Chemical inventory and substance registration databases"]},"relations":[{"target":"Q74800317","type":"parent","note":"registry parent class"}],"interaction":{"identity":{"applicability":"required","items":["Vercy registry: vr.tr.ethyl-chloroacetate","Wikidata: Q424825 (https://www.wikidata.org/wiki/Q424825)"]},"properties":{"applicability":"required","items":["Chemical identifiers: CAS 105-39-5; EC 203-294-0; PubChem CID 7751","Composition and molar mass: C4H7ClO2; 122.55 g/mol","Assay and grade: % with explicit basis, analytical method, uncertainty and grade specification","Water and free acidity: Water in mg/kg; acidity in mmol/kg or a specified equivalent basis","Phase and thermal transitions: Observed phase with temperature and pressure; reference melting point -26 °C and boiling point 144.2 °C, with boiling pressure to verify","Density and vapor pressure: Density in g/mL at stated temperature; vapor pressure in Pa at stated temperature","Flash point: °C with test method; ICSC reports 53 °C closed cup","Hazard classification: GHS hazard classes, categories and statements with jurisdiction, issuer and revision date","Exposure limits: Authority-specific TWA, STEL or ceiling in ppm or mg/m³, including skin notation where applicable; unresolved until verified","Sample disposition: Unassessed; accepted for specified use; restricted; quarantined; rejected"]},"recognition":{"applicability":"required","items":["A colourless liquid with a sharp, irritating odour, supplied in labelled chemical containers.","Hazard pictograms on the label; identity is confirmed by analysis, not by smell."]},"capabilities":{"applicability":"required","items":["Match a chemical record or sample to ethyl chloroacetate using identifiers and structural evidence.","Compare a batch certificate and analytical results against an intended-use specification.","Evaluate whether observed phase and measured properties are consistent with the recorded conditions.","Screen proposed contact materials and reaction partners against documented compatibility evidence.","Determine whether current hazard, exposure and transport records are sufficient to authorize a proposed handling task.","Flag material for reassessment when moisture exposure, analytical drift or missing provenance undermines suitability."]},"hazards":{"applicability":"required","items":["Toxic exposure through inhalation, skin contact or swallowing.","Fire, since the liquid and its vapour are flammable.","Severe eye irritation from vapour."]},"interfaces":{"applicability":"required","items":["Globally Harmonized System of Classification and Labelling of Chemicals (GHS), United Nations."]},"context":{"applicability":"required","items":["Ethyl chloroacetate is encountered in chemical laboratories and manufacturing as an intermediate in organic synthesis.","Its reactive chloroacetate group supports the preparation of other organic compounds, including pharmaceutical and agrochemical intermediates.","Analytical laboratories may examine samples to establish identity, purity or the presence of this compound in process materials."]}},"sources":[{"title":"Wikidata item Q424825: ethyl chloroacetate","url":"https://www.wikidata.org/wiki/Q424825","note":"identity and sense of the item"},{"title":"Wikipedia: Ethyl chloroacetate","url":"https://en.wikipedia.org/wiki/Ethyl_chloroacetate","note":"general description of the item"}],"openQuestions":["Which current jurisdiction-specific occupational exposure limits, skin notations and authoritative GHS classifications apply to ethyl chloroacetate?","How should reported flash points of 53 °C closed cup and 57 °C be reconciled, and what methods and purity conditions explain the difference? [ICSC 1081](https://www.inchem.org/documents/icsc/icsc/eics1081.htm); [TCI](https://www.tcichemicals.com/US/en/p/C0092)","What validated evidence establishes products and rates of change during water, humid-air, acid or base exposure under relevant storage conditions?","Which impurity, acidity and water specifications distinguish useful grades, and what validated methods measure them?","What ethyl-chloroacetate-specific container compatibility, glove breakthrough and storage-stability data support task-level handling decisions?"],"resources":{"spec":"/models/things/publications/thing-q424825/spec.json"},"provenance":{"origin":"thing registry research (pass 2)","builtFrom":["models/things/publications/thing-q424825/spec.json"],"providers":["Codex"],"researchStatus":"unreviewed","generatedAt":"2026-09-12T09:32:36Z","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 2026-10-07T10:10:30+00:00: completeness 1.00; sense: Wikidata description; 2 live sources; review by codex: pass"},"score":1.0}}