Α,α,α-trifluoro-2-toluonitrile
Everything that changed this flow. Back to the flow
7b7bff91-a968-4333-bc74-deb0a21b02b0
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 88312' (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=α,α,α-trifluoro-2-toluonitrile||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'447-60-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-ea3dc28c146c984a: {'447-60-9': '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=['447-60-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[67972, 3014370, 5708783]; selected_pubchem_cids=[67972]; 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 |
|---|---|---|---|---|---|
| 13,946 | bootstrap_labels | prefLabel | — | [{"@value":"α,α,α-trifluoro-2-toluonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | Bootstrapped prefLabel from legacy name field |
| 13,947 | bootstrap_labels | name | α,α,α-trifluoro-2-toluonitrile | — | Purged legacy name field to enforce prefLabel usage |
| 21,272 | bootstrap_labels | synonyms | ["î±,î±,î±-trifluoro-2-toluonitrile","2-(trifluoromethyl)benzonitrile",".alpha.,.alpha.,.alpha.-Trifluoro-o-tolunitrile… | [] | Removed legacy synonyms field in favor of structured labels |
| 123,098 | 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 |
| 123,099 | 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 |
| 217,946 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,321 | normalize_name_case | prefLabel | [{"@value":"α,α,α-trifluoro-2-toluonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | [{"@value":"Α,α,α-trifluoro-2-toluonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 240,391 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4F3N"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 240,392 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 240,393 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J196.146B","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['447-60-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[67972, 3014370, 5708783]; selected_pubchem_cids=[67972]; 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 |
| 252,119 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4F3N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4F3N"],… | rdkit_pre_consensus from 'C1=CC=C(C(=C1)C#N)C(F)(F)F'; added: molecular_mass, monoisotopic_mass |
| 273,385 | consensus_match | altLabel | [] | [{"@value":"2-(Trifluoromethyl)benzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | group_key=α,α,α-trifluoro-2-toluonitrile||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=447-60-9; added Common Chemistry CAS names as altLabel: 2-(Trifluoromethyl)benzonitrile, 2-Cyanobenzotrifluoride, <em>o</em>-(Trifluoromethyl)benzonitrile, <em>o</em>-(Trifluoromethyl)cyanobenzene, <em>o</em>-Cyanobenzotrifluoride, <em>o</em>-Tolunitrile, α,α,α-trifluoro-, Benzonitrile, 2-(trifluoromethyl)-, NSC 88312, α,α,α-Trifluoro-<em>o</em>-tolunitrile; object_uuid=fo-ea3dc28c146c984a |
| 273,386 | consensus_match | cas_match_labels | — | {"447-60-9":"exactMatch"} | group_key=α,α,α-trifluoro-2-toluonitrile||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'447-60-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-ea3dc28c146c984a: {'447-60-9': 'exactMatch'} |
| 277,311 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4F3N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4F3N"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-(Trifluoromethyl)benzonitrile' |
| 283,986 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4F3N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4F3N"],… | rdkit_post_consensus from 'N#Cc1ccccc1C(F)(F)F'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,114 | strip_catalogue_altlabels | altLabel | [{"@value":"2-(Trifluoromethyl)benzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | [{"@value":"2-(Trifluoromethyl)benzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | Removed 1 catalogue altLabel value(s): 'NSC 88312' (registry code) |
| 342,545 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7b7bff91-a968-… | associations resolved on the elementary layer |
| 391,667 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4F3N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4F3N"],… | typed the way the ontology types it |
| 399,802 | 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/20260821T1122181958110000/13946 | prefLabel | ef:agent/bootstrap_labels | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v0 | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v1 |
| ef:activity/change/20260821T1122181958110000/13947 | name | ef:agent/bootstrap_labels | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v1 | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v2 |
| ef:activity/change/20260821T1122181958110000/21272 | synonyms | ef:agent/bootstrap_labels | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v2 | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v3 |
| ef:activity/change/20260821T1122181958110000/123098 | context | ef:agent/default_context_mapping | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v3 | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v4 |
| ef:activity/change/20260821T1122181958110000/123099 | context_iri | ef:agent/default_context_mapping | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v4 | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v5 |
| ef:activity/change/20260821T1122181958110000/217946 | unit_iri | ef:agent/unit_normalization | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v5 | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v6 |
| ef:activity/change/20260821T1122181958110000/224321 | prefLabel | ef:agent/normalize_name_case | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v6 | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v7 |
| ef:activity/change/20260821T1122181958110000/240391 | properties | ef:agent/enrich_references | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v7 | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v8 |
| ef:activity/change/20260821T1122181958110000/240392 | skos_definition | ef:agent/enrich_references | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v8 | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v9 |
| ef:activity/change/20260821T1122181958110000/240393 | references | ef:agent/enrich_references | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v9 | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v10 |
| ef:activity/change/20260821T1122181958110000/252119 | properties | ef:agent/rdkit_pre_consensus | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v10 | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v11 |
| ef:activity/change/20260821T1122181958110000/273385 | altLabel | ef:agent/consensus_match | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v11 | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v12 |
| ef:activity/change/20260821T1122181958110000/273386 | cas_match_labels | ef:agent/consensus_match | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v12 | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v13 |
| ef:activity/change/20260821T1122181958110000/277311 | properties | ef:agent/opsin_iupac | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v13 | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v14 |
| ef:activity/change/20260821T1122181958110000/283986 | properties | ef:agent/rdkit_post_consensus | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v14 | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v15 |
| ef:activity/change/20260821T1122181958110000/290114 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v15 | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v16 |
| ef:activity/change/20260821T1122181958110000/342545 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v16 | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v17 |
| ef:activity/change/20260821T1122181958110000/391667 | properties | ef:agent/normalise_property_values | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v17 | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v18 |
| ef:activity/change/20260821T1122181958110000/399802 | types | ef:agent/link_flows_to_their_substance | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v18 | ef:flow/7b7bff91-a968-4333-bc74-deb0a21b02b0/v19 |