2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene
Everything that changed this flow. Back to the flow
486ce6b3-6337-405a-a36b-16e5b0ab4473
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 88274' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'393-75-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cab8945cc1ecde98: {'393-75-9': '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 water > Emissions to fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['393-75-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[9809, 694648, 71651107]; selected_pubchem_cids=[9809]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 2,064 | bootstrap_labels | prefLabel | — | [{"@value":"2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstra… | Bootstrapped prefLabel from legacy name field |
| 2,065 | bootstrap_labels | name | 2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene | — | Purged legacy name field to enforce prefLabel usage |
| 2,066 | bootstrap_labels | synonyms | ["organic","4-chloro-3,5-dinitro-î±,î±,î±-trifluorotoluene"] | [] | Removed legacy synonyms field in favor of structured labels |
| 84,324 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 84,325 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 214,027 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 229,164 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H2ClF3N2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,165 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,166 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J29.541H","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['393-75-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[9809, 694648, 71651107]; selected_pubchem_cids=[9809]; 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 |
| 248,888 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H2ClF3N2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H2ClF3N2… | rdkit_pre_consensus from 'C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(F)(F)F'; added: molecular_mass, monoisotopic_mass |
| 260,630 | consensus_match | altLabel | [] | [{"@value":"1,3-Dinitro-2-chloro-5-(trifluoromethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | group_key=2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene||dimension=Environmental > media=Air > indoor=Unknown; cas=393-75-9; added Common Chemistry CAS names as altLabel: 1,3-Dinitro-2-chloro-5-(trifluoromethyl)benzene, 1-Chloro-2,6-dinitro-4-(trifluoromethyl)benzene, 2,6-Dinitro-4-(trifluoromethyl)chlorobenzene, 3,5-Dinitro-4-chlorobenzotrifluoride, 3,5-Dinitro-4-chlorotrifluoromethylbenzene, 4-(Trifluoromethyl)-2,6-dinitrochlorobenzene, 4-Chloro-3,5-dinitro-α,α,α-trifluorotoluene, 4-Chloro-3,5-dinitrobenzotrifluoride, 4-Chloro-α,α,α-trifluoro-3,5-dinitrotoluene, Benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)-, Chloralin, NSC 88274, Toluene, 4-chloro-α,α,α-trifluoro-3,5-dinitro-; object_uuid=fo-cab8945cc1ecde98 |
| 260,631 | consensus_match | cas_match_labels | — | {"393-75-9":"exactMatch"} | group_key=2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'393-75-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cab8945cc1ecde98: {'393-75-9': 'exactMatch'} |
| 274,009 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H2ClF3N2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H2ClF3N2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene' |
| 280,413 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H2ClF3N2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H2ClF3N2… | rdkit_post_consensus from 'O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,665 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Dinitro-2-chloro-5-(trifluoromethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | [{"@value":"1,3-Dinitro-2-chloro-5-(trifluoromethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | Removed 1 catalogue altLabel value(s): 'NSC 88274' (registry code) |
| 323,176 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/486ce6b3-6337-… | associations resolved on the elementary layer |
| 388,300 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H2ClF3N2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H2ClF3N2… | typed the way the ontology types it |
| 394,972 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1554374006150000/2064 | prefLabel | ef:agent/bootstrap_labels | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v0 | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v1 |
| ef:activity/change/20260821T1554374006150000/2065 | name | ef:agent/bootstrap_labels | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v1 | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v2 |
| ef:activity/change/20260821T1554374006150000/2066 | synonyms | ef:agent/bootstrap_labels | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v2 | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v3 |
| ef:activity/change/20260821T1554374006150000/84324 | context | ef:agent/default_context_mapping | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v3 | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v4 |
| ef:activity/change/20260821T1554374006150000/84325 | context_iri | ef:agent/default_context_mapping | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v4 | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v5 |
| ef:activity/change/20260821T1554374006150000/214027 | unit_iri | ef:agent/unit_normalization | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v5 | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v6 |
| ef:activity/change/20260821T1554374006150000/229164 | properties | ef:agent/enrich_references | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v6 | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v7 |
| ef:activity/change/20260821T1554374006150000/229165 | skos_definition | ef:agent/enrich_references | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v7 | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v8 |
| ef:activity/change/20260821T1554374006150000/229166 | references | ef:agent/enrich_references | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v8 | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v9 |
| ef:activity/change/20260821T1554374006150000/248888 | properties | ef:agent/rdkit_pre_consensus | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v9 | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v10 |
| ef:activity/change/20260821T1554374006150000/260630 | altLabel | ef:agent/consensus_match | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v10 | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v11 |
| ef:activity/change/20260821T1554374006150000/260631 | cas_match_labels | ef:agent/consensus_match | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v11 | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v12 |
| ef:activity/change/20260821T1554374006150000/274009 | properties | ef:agent/opsin_iupac | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v12 | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v13 |
| ef:activity/change/20260821T1554374006150000/280413 | properties | ef:agent/rdkit_post_consensus | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v13 | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v14 |
| ef:activity/change/20260821T1554374006150000/287665 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v14 | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v15 |
| ef:activity/change/20260821T1554374006150000/323176 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v15 | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v16 |
| ef:activity/change/20260821T1554374006150000/388300 | properties | ef:agent/normalise_property_values | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v16 | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v17 |
| ef:activity/change/20260821T1554374006150000/394972 | types | ef:agent/link_flows_to_their_substance | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v17 | ef:flow/486ce6b3-6337-405a-a36b-16e5b0ab4473/v18 |