Isophthaloyl Dichloride
Everything that changed this flow. Back to the flow
71424a34-517e-4bd5-ba85-d16f837a483b
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 41884' (registry code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=isophthaloyldichloride||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'99-63-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0ad50d68ada682df: {'99-63-8': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['99-63-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[7451, 72119]; selected_pubchem_cids=[7451]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 5,283 | bootstrap_labels | prefLabel | — | [{"@value":"isophthaloyl dichloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Bootstrapped prefLabel from legacy name field |
| 5,284 | bootstrap_labels | name | isophthaloyl dichloride | — | Purged legacy name field to enforce prefLabel usage |
| 5,285 | bootstrap_labels | synonyms | ["organic","isophthaloyldichloride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 117,212 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 117,213 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 215,103 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,312 | normalize_name_case | prefLabel | [{"@value":"isophthaloyl dichloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | [{"@value":"Isophthaloyl Dichloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,258 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4Cl2O2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,259 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,260 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.971I","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['99-63-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[7451, 72119]; selected_pubchem_cids=[7451]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 249,776 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4Cl2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4Cl2O2"… | rdkit_pre_consensus from 'C1=CC(=CC(=C1)C(=O)Cl)C(=O)Cl'; added: molecular_mass, monoisotopic_mass |
| 268,156 | consensus_match | altLabel | [] | [{"@value":"1,3-Benzenedicarbonyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | group_key=isophthaloyldichloride||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=99-63-8; added Common Chemistry CAS names as altLabel: 1,3-Benzenedicarbonyl chloride, 1,3-Benzenedicarbonyl dichloride, 1,3-Benzenedicarboxylic dichloride, 1,3-Bis(chlorocarbonyl)benzene, 1,3-Di(chlorocarbonyl)benzene, <em>m</em>-Benzenedicarbonyl chloride, <em>m</em>-Phthalic dichloride, <em>m</em>-Phthaloyl chloride, <em>m</em>-Phthaloyl dichloride, Isophthalic acid chloride, Isophthalic acid dichloride, Isophthalic chloride, Isophthaloyl chloride, Isophthalyl chloride, Isophthalyl dichloride, Isoterephthaloyl dichloride, Isothaloyl chloride, NSC 41884; object_uuid=fo-0ad50d68ada682df |
| 268,157 | consensus_match | cas_match_labels | — | {"99-63-8":"exactMatch"} | group_key=isophthaloyldichloride||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'99-63-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0ad50d68ada682df: {'99-63-8': 'exactMatch'} |
| 274,915 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4Cl2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4Cl2O2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Isophthaloyl Dichloride' |
| 281,391 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4Cl2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4Cl2O2"… | rdkit_post_consensus from 'O=C(Cl)c1cccc(C(=O)Cl)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,336 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Benzenedicarbonyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | [{"@value":"1,3-Benzenedicarbonyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | Removed 1 catalogue altLabel value(s): 'NSC 41884' (registry code) |
| 339,604 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/71424a34-517e-… | associations resolved on the elementary layer |
| 389,220 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4Cl2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4Cl2O2"… | typed the way the ontology types it |
| 396,275 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260822T0600486828500000/5283 | prefLabel | ef:agent/bootstrap_labels | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v0 | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v1 |
| ef:activity/change/20260822T0600486828500000/5284 | name | ef:agent/bootstrap_labels | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v1 | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v2 |
| ef:activity/change/20260822T0600486828500000/5285 | synonyms | ef:agent/bootstrap_labels | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v2 | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v3 |
| ef:activity/change/20260822T0600486828500000/117212 | context | ef:agent/default_context_mapping | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v3 | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v4 |
| ef:activity/change/20260822T0600486828500000/117213 | context_iri | ef:agent/default_context_mapping | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v4 | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v5 |
| ef:activity/change/20260822T0600486828500000/215103 | unit_iri | ef:agent/unit_normalization | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v5 | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v6 |
| ef:activity/change/20260822T0600486828500000/222312 | prefLabel | ef:agent/normalize_name_case | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v6 | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v7 |
| ef:activity/change/20260822T0600486828500000/232258 | properties | ef:agent/enrich_references | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v7 | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v8 |
| ef:activity/change/20260822T0600486828500000/232259 | skos_definition | ef:agent/enrich_references | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v8 | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v9 |
| ef:activity/change/20260822T0600486828500000/232260 | references | ef:agent/enrich_references | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v9 | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v10 |
| ef:activity/change/20260822T0600486828500000/249776 | properties | ef:agent/rdkit_pre_consensus | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v10 | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v11 |
| ef:activity/change/20260822T0600486828500000/268156 | altLabel | ef:agent/consensus_match | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v11 | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v12 |
| ef:activity/change/20260822T0600486828500000/268157 | cas_match_labels | ef:agent/consensus_match | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v12 | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v13 |
| ef:activity/change/20260822T0600486828500000/274915 | properties | ef:agent/opsin_iupac | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v13 | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v14 |
| ef:activity/change/20260822T0600486828500000/281391 | properties | ef:agent/rdkit_post_consensus | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v14 | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v15 |
| ef:activity/change/20260822T0600486828500000/288336 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v15 | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v16 |
| ef:activity/change/20260822T0600486828500000/339604 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v16 | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v17 |
| ef:activity/change/20260822T0600486828500000/389220 | properties | ef:agent/normalise_property_values | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v17 | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v18 |
| ef:activity/change/20260822T0600486828500000/396275 | types | ef:agent/link_flows_to_their_substance | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v18 | ef:flow/71424a34-517e-4bd5-ba85-d16f837a483b/v19 |