4-chloro-2-methylaniline Hydrochloride
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-9230-0050c2490048
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): 'C.I. 37085' (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=4-chloro-2-methylanilinehydrochloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3165-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ba52aae6e81ff97b: {'3165-93-3': '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 water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['3165-93-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[18487]; selected_pubchem_cids=[18487]; 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 |
|---|---|---|---|---|---|
| 17,817 | bootstrap_labels | prefLabel | — | [{"@value":"4-chloro-2-methylaniline hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Bootstrapped prefLabel from legacy name field |
| 17,818 | bootstrap_labels | name | 4-chloro-2-methylaniline hydrochloride | — | Purged legacy name field to enforce prefLabel usage |
| 17,819 | bootstrap_labels | synonyms | ["2-Amino-5-chlorotoluene hydrochloride","2-Methyl-4-chloroaniline hydrochloride","4-CHLORO-O-TOLUIDINE HYDROCHLORIDE",… | [] | Removed legacy synonyms field in favor of structured labels |
| 90,172 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 90,173 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 219,173 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,172 | normalize_name_case | prefLabel | [{"@value":"4-chloro-2-methylaniline hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | [{"@value":"4-chloro-2-methylaniline Hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 243,868 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9Cl2N"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 243,869 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 243,870 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.019.662","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['3165-93-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[18487]; selected_pubchem_cids=[18487]; 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 |
| 253,125 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9Cl2N"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9Cl2N"]… | rdkit_pre_consensus from 'CC1=C(C=CC(=C1)Cl)N.Cl'; added: molecular_mass, monoisotopic_mass |
| 262,632 | consensus_match | altLabel | [] | [{"@value":"2-Methyl-4-chloroaniline hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | group_key=4-chloro-2-methylanilinehydrochloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=3165-93-3; added Common Chemistry CAS names as altLabel: 2-Methyl-4-chloroaniline hydrochloride, 4-Chloro-2-methylbenzenamine hydrochloride, 4-Chloro-<em>o</em>-toluidine hydrochloride, <em>o</em>-Toluidine, 4-chloro-, hydrochloride, <em>p</em>-Chloro-<em>o</em>-toluidine hydrochloride, Azogene Fast Red TR, Benzenamine, 4-chloro-2-methyl-, hydrochloride, Benzenamine, 4-chloro-2-methyl-, hydrochloride (1:1), C.I. 37085, Devol Red K, Devol Red TR, Neutrosel Red TRVA; object_uuid=fo-ba52aae6e81ff97b |
| 262,633 | consensus_match | cas_match_labels | — | {"3165-93-3":"exactMatch"} | group_key=4-chloro-2-methylanilinehydrochloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3165-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ba52aae6e81ff97b: {'3165-93-3': 'exactMatch'} |
| 278,329 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9Cl2N"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9Cl2N"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-chloro-2-methylaniline Hydrochloride' |
| 285,083 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9Cl2N"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9Cl2N"]… | rdkit_post_consensus from 'Cc1cc(Cl)ccc1N.Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,850 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Methyl-4-chloroaniline hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | [{"@value":"2-Methyl-4-chloroaniline hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | Removed 1 catalogue altLabel value(s): 'C.I. 37085' (registry code) |
| 326,098 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-… | associations resolved on the elementary layer |
| 392,690 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9Cl2N"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9Cl2N"]… | typed the way the ontology types it |
| 401,285 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | 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/20260821T1554374006150000/17817 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v1 |
| ef:activity/change/20260821T1554374006150000/17818 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v2 |
| ef:activity/change/20260821T1554374006150000/17819 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v3 |
| ef:activity/change/20260821T1554374006150000/90172 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v4 |
| ef:activity/change/20260821T1554374006150000/90173 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v5 |
| ef:activity/change/20260821T1554374006150000/219173 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v6 |
| ef:activity/change/20260821T1554374006150000/225172 | prefLabel | ef:agent/normalize_name_case | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v7 |
| ef:activity/change/20260821T1554374006150000/243868 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v8 |
| ef:activity/change/20260821T1554374006150000/243869 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v9 |
| ef:activity/change/20260821T1554374006150000/243870 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v10 |
| ef:activity/change/20260821T1554374006150000/253125 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v11 |
| ef:activity/change/20260821T1554374006150000/262632 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v12 |
| ef:activity/change/20260821T1554374006150000/262633 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v13 |
| ef:activity/change/20260821T1554374006150000/278329 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v14 |
| ef:activity/change/20260821T1554374006150000/285083 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v15 |
| ef:activity/change/20260821T1554374006150000/290850 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v16 |
| ef:activity/change/20260821T1554374006150000/326098 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v17 |
| ef:activity/change/20260821T1554374006150000/392690 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v18 |
| ef:activity/change/20260821T1554374006150000/401285 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-9230-0050c2490048/v19 |