3-chloro-6-nitrotoluene
Everything that changed this flow. Back to the flow
0a5ca3e0-0740-4957-a29a-f87b3164c39d
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 | 1 | consensus_match | group_key=3-chloro-6-nitrotoluene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=5367-28-2; added Common Chemistry CAS names as altLabel: 1-Chloro-3-methyl-4-nitrobenzene, 2-Nitro-5-chlorotoluene, 3-Methyl-4-nitrochlorobenzene, 4-Chloro-2-methyl-1-nitrobenzene, 4-Chloro-2-methylnitrobenzene, 5-Chloro-2-nitrotoluene, Benzene, 4-chloro-2-methyl-1-nitro-, Toluene, 5-chloro-2-nitro-; object_uuid=fo-dfe2ef5129733b6b |
| cas_match_labels | 1 | consensus_match | group_key=3-chloro-6-nitrotoluene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'5367-28-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dfe2ef5129733b6b: {'5367-28-2': '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, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 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=['5367-28-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[79329, 218528, 251501, 297887]; selected_pubchem_cids=[79329]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 4,446 | bootstrap_labels | prefLabel | — | [{"@value":"3-chloro-6-nitrotoluene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Bootstrapped prefLabel from legacy name field |
| 4,447 | bootstrap_labels | name | 3-chloro-6-nitrotoluene | — | Purged legacy name field to enforce prefLabel usage |
| 4,448 | bootstrap_labels | synonyms | ["4-chloro-2-methyl-1-nitrobenzene","5-Chloro-2-nitrotoluene","AC1L2X5P","AC1Q5ABU","Benzene, 1-chloro-3-methyl-4-nitro… | [] | Removed legacy synonyms field in favor of structured labels |
| 42,676 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 42,677 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 214,824 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 231,456 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6ClNO2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,457 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,458 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J141.343K","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['5367-28-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[79329, 218528, 251501, 297887]; selected_pubchem_cids=[79329]; 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 |
| 249,547 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6ClNO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6ClNO2"… | rdkit_pre_consensus from 'CC1=C(C=CC(=C1)Cl)[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 261,956 | consensus_match | altLabel | [] | [{"@value":"1-Chloro-3-methyl-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | group_key=3-chloro-6-nitrotoluene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=5367-28-2; added Common Chemistry CAS names as altLabel: 1-Chloro-3-methyl-4-nitrobenzene, 2-Nitro-5-chlorotoluene, 3-Methyl-4-nitrochlorobenzene, 4-Chloro-2-methyl-1-nitrobenzene, 4-Chloro-2-methylnitrobenzene, 5-Chloro-2-nitrotoluene, Benzene, 4-chloro-2-methyl-1-nitro-, Toluene, 5-chloro-2-nitro-; object_uuid=fo-dfe2ef5129733b6b |
| 261,957 | consensus_match | cas_match_labels | — | {"5367-28-2":"exactMatch"} | group_key=3-chloro-6-nitrotoluene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'5367-28-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dfe2ef5129733b6b: {'5367-28-2': 'exactMatch'} |
| 274,678 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6ClNO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6ClNO2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-chloro-6-nitrotoluene' |
| 281,138 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6ClNO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6ClNO2"… | rdkit_post_consensus from 'Cc1cc(Cl)ccc1[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 302,363 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0a5ca3e0-0740-… | associations resolved on the elementary layer |
| 388,986 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6ClNO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6ClNO2"… | typed the way the ontology types it |
| 395,948 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260821T1554374006150000/4446 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v0 | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v1 |
| ef:activity/change/20260821T1554374006150000/4447 | name | ef:agent/bootstrap_labels | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v1 | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v2 |
| ef:activity/change/20260821T1554374006150000/4448 | synonyms | ef:agent/bootstrap_labels | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v2 | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v3 |
| ef:activity/change/20260821T1554374006150000/42676 | context | ef:agent/default_context_mapping | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v3 | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v4 |
| ef:activity/change/20260821T1554374006150000/42677 | context_iri | ef:agent/default_context_mapping | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v4 | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v5 |
| ef:activity/change/20260821T1554374006150000/214824 | unit_iri | ef:agent/unit_normalization | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v5 | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v6 |
| ef:activity/change/20260821T1554374006150000/231456 | properties | ef:agent/enrich_references | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v6 | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v7 |
| ef:activity/change/20260821T1554374006150000/231457 | skos_definition | ef:agent/enrich_references | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v7 | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v8 |
| ef:activity/change/20260821T1554374006150000/231458 | references | ef:agent/enrich_references | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v8 | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v9 |
| ef:activity/change/20260821T1554374006150000/249547 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v9 | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v10 |
| ef:activity/change/20260821T1554374006150000/261956 | altLabel | ef:agent/consensus_match | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v10 | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v11 |
| ef:activity/change/20260821T1554374006150000/261957 | cas_match_labels | ef:agent/consensus_match | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v11 | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v12 |
| ef:activity/change/20260821T1554374006150000/274678 | properties | ef:agent/opsin_iupac | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v12 | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v13 |
| ef:activity/change/20260821T1554374006150000/281138 | properties | ef:agent/rdkit_post_consensus | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v13 | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v14 |
| ef:activity/change/20260821T1554374006150000/302363 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v14 | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v15 |
| ef:activity/change/20260821T1554374006150000/388986 | properties | ef:agent/normalise_property_values | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v15 | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v16 |
| ef:activity/change/20260821T1554374006150000/395948 | types | ef:agent/link_flows_to_their_substance | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v16 | ef:flow/0a5ca3e0-0740-4957-a29a-f87b3164c39d/v17 |