3-(1-cyanoethyl)benzoyl Chloride
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-c964a969a74a2072
Changes
55| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 18,539 | bootstrap_labels | prefLabel | — | [{"@value":"3-(1-cyanoethyl)benzoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Bootstrapped prefLabel from legacy name field |
| 18,540 | bootstrap_labels | name | 3-(1-cyanoethyl)benzoyl chloride | — | Purged legacy name field to enforce prefLabel usage |
| 18,541 | bootstrap_labels | synonyms | ["organic","3-(1-cyanoethyl)benzoylchloride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 59,624 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 59,625 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 72,412 | 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) |
| 72,413 | 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) |
| 76,968 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 76,969 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 105,894 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 105,895 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 109,258 | 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 |
| 109,259 | 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 |
| 133,858 | 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 |
| 133,859 | 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 |
| 133,898 | 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 |
| 133,899 | 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 |
| 134,990 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 134,991 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 136,112 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 136,113 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 142,320 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 142,321 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 182,844 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 182,845 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 185,896 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 185,897 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 213,118 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 213,119 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 219,398 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,317 | normalize_name_case | prefLabel | [{"@value":"3-(1-cyanoethyl)benzoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | [{"@value":"3-(1-cyanoethyl)benzoyl Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,494 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H8ClNO"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,495 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,496 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J309.993H","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['42872-29-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[3016393]; selected_pubchem_cids=[3016393]; 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 |
| 253,308 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H8ClNO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H8ClNO"… | rdkit_pre_consensus from 'CC(C#N)C1=CC(=CC=C1)C(=O)Cl'; added: molecular_mass, monoisotopic_mass |
| 261,713 | consensus_match | altLabel | [] | [{"@value":"2-[3-(Chloroformyl)phenyl]propionitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | group_key=3-(1-cyanoethyl)benzoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=42872-29-7; added Common Chemistry CAS names as altLabel: 2-[3-(Chloroformyl)phenyl]propionitrile, <em>m</em>-(1-Cyanoethyl)benzoyl chloride, Benzoyl chloride, 3-(1-cyanoethyl)-; object_uuid=fo-c964a969a74a2072 |
| 261,714 | consensus_match | cas_match_labels | — | {"42872-29-7":"exactMatch"} | group_key=3-(1-cyanoethyl)benzoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'42872-29-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c964a969a74a2072: {'42872-29-7': 'exactMatch'} |
| 278,517 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H8ClNO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H8ClNO"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-(1-cyanoethyl)benzoyl Chloride' |
| 285,284 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H8ClNO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H8ClNO"… | rdkit_post_consensus from 'CC(C#N)c1cccc(C(=O)Cl)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,995 | dedupe_altlabels | altLabel | [{"@value":"2-[3-(Chloroformyl)phenyl]propionitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | [{"@value":"2-[3-(Chloroformyl)phenyl]propionitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | Deduplicated altLabel values and removed entries matching prefLabel |
| 310,829 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/228a5325-03c9-… | associations resolved on the elementary layer |
| 317,221 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/356cb5a6-5488-… | associations resolved on the elementary layer |
| 319,497 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3d3cb45a-de22-… | associations resolved on the elementary layer |
| 333,943 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5e9a2f28-3821-… | associations resolved on the elementary layer |
| 335,626 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/64412b14-842a-… | associations resolved on the elementary layer |
| 347,923 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8d44684f-dd62-… | associations resolved on the elementary layer |
| 347,943 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8d514dc5-45bc-… | associations resolved on the elementary layer |
| 348,489 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8f561b61-4f8b-… | associations resolved on the elementary layer |
| 349,050 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/91591aef-3388-… | associations resolved on the elementary layer |
| 352,160 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9b88c2d2-c8dc-… | associations resolved on the elementary layer |