Difenzoquat
dce4eb15-07eb-4503-8da0-6afcb7ad6bc0
Identity
- Substance
- fo-e6e3bec882a08e1e Molecular cation
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)
- CAS
- 49866-87-7
- EC
- 256-505-3
Context
- Dimension
- Environmental
- Media
- Air
- Population density
- Rural (<1000 people/square mile)
- Strata
- Medium stack, <150 meters
Alternative labels
3- 1,2-dimethyl-3,5-diphenyl-1H-pyrazolium
- 1H-Pyrazolium, 1,2-dimethyl-3,5-diphenyl-
- Avenge CP
Source lists
2| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | dce4eb15-07eb-4503-8da0-6afcb7ad6bc0 | 1,2-dimethyl-3,5-diphenyl-1H-pyrazolium | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
| ecoinvent | 3.12 | 96939227-1293-5022-9f47-b6f855a166a3 | Difenzoquat | A curator's mapping table (ecoinvent-3.11-biosphere-EF-3.1-biosphere) names this flow. |
Concept associations
2| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | dce4eb15-07eb-4503-8da0-6afcb7ad6bc0 | 1,2-dimethyl-3,5-diphenyl-1H-pyrazolium | Emissions/Emissions to air/Emissions to non-urban air or from high stacks | exactMatch | — |
| ecoinvent 3.12 | 96939227-1293-5022-9f47-b6f855a166a3 | Difenzoquat | air / non-urban air or from high stacks | exactMatch | — |
Characterisation factors
6- consensus-flow-list 2
- European Commission — JRC 2
- ecoinvent Centre 2
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
| Method | Implementation | Category | Place | Factor | Published as |
|---|---|---|---|---|---|
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater | — | 205.3 | — |
| EF 3.1 | ecoinvent Centre | Ecotoxicity, freshwater | — | 205.3 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 205.3 | agreed |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 205.3 | — |
| EF 3.1 | ecoinvent Centre | Ecotoxicity, freshwater_organics | — | 205.3 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 205.3 | agreed |
History
The change log and the PROV-O trail (4 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
{
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C17H17N2",
"C17H17N2+",
"C17H19N2+"
],
"attested_by": {
"C17H17N2": [
"enrich_references.chebi_semantic"
],
"C17H17N2+": [
"enrich_references.pubchem_semantic"
],
"C17H19N2+": [
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_81910"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:39425"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN1C(c2ccccc2)C=C(c2ccccc2)[NH+]1C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CN1C(c2ccccc2)C=C(c2ccccc2)[NH+]1C"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,2-dimethyl-3,5-diphenyl-1H-pyrazolium"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN1C(c2ccccc2)C=C(c2ccccc2)[NH+]1C"
]
},
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,2-dimethyl-3,5-diphenyl-1h-pyrazolium"
]
}
],
"attested_by": {
"CN1C(c2ccccc2)C=C(c2ccccc2)[NH+]1C": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C17H18N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13,16H,1-2H3/p+1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,2-dimethyl-3,5-diphenyl-1H-pyrazolium"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN1C(c2ccccc2)C=C(c2ccccc2)[NH+]1C"
]
},
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,2-dimethyl-3,5-diphenyl-1h-pyrazolium"
]
}
],
"attested_by": {
"InChI=1S/C17H18N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13,16H,1-2H3/p+1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"JARFAUHJHIUGCO-UHFFFAOYSA-O",
"LBGPXIPGGRQBJW-UHFFFAOYSA-N"
],
"attested_by": {
"LBGPXIPGGRQBJW-UHFFFAOYSA-N": [
"enrich_references.chebi_semantic",
"enrich_references.pubchem_semantic"
],
"JARFAUHJHIUGCO-UHFFFAOYSA-O": [
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_81910"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:39425"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN1C(c2ccccc2)C=C(c2ccccc2)[NH+]1C"
]
}
]
},
"https://w3id.org/chemrof/elemental_charge": {
"@id": "https://w3id.org/chemrof/elemental_charge",
"@value": [
1
],
"attested_by": {
"1": [
"enrich_references.chebi_semantic"
]
},
"rdfs:label": "Elemental charge",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_81910"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.charge"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"1,2-dimethyl-3,5-diphenyl-1H-pyrazolium",
"1,2-dimethyl-3,5-diphenyl-1h-pyrazolium"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,2-dimethyl-3,5-diphenyl-1H-pyrazolium",
"1,2-dimethyl-3,5-diphenyl-1h-pyrazolium"
]
},
"attested_by": {
"1,2-dimethyl-3,5-diphenyl-1H-pyrazolium": [
"opsin_iupac"
],
"1,2-dimethyl-3,5-diphenyl-1h-pyrazolium": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.360H",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:39425;CAS:49866-87-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[49866-87-7]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.051.352",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:39425;CAS:49866-87-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[49866-87-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=49866-87-7",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_81910"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID6043965",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:39425;CAS:49866-87-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[49866-87-7]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/Difenzoquat",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:39425;CAS:49866-87-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[49866-87-7]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/54NE792QN5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:39425;CAS:49866-87-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[49866-87-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/39425",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:39425;CAS:49866-87-7"
],
"prov:wasDerivedFrom": "pubchem.by_cas[49866-87-7]"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81910",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_id_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_81910"
],
"prov:wasDerivedFrom": "chebi.id"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2096924",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:39425;CAS:49866-87-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[49866-87-7]"
}
},
{
"@id": "https://www.genome.jp/entry/C18717",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_81910"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://www.kegg.jp/entry/C18717",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:39425;CAS:49866-87-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[49866-87-7]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27155656",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:39425;CAS:49866-87-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[49866-87-7]"
}
},
{
"@id": "ppdb:232",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_81910"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
}
],
"prefLabel": [
{
"@value": "Difenzoquat",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:49866-87-7"
],
"prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
}
}
],
"@type": [
"https://w3id.org/chemrof/MolecularCation"
],
"http://www.w3.org/2004/02/skos/core#definition": [],
"uuid": "dce4eb15-07eb-4503-8da0-6afcb7ad6bc0",
"identifier": "dce4eb15-07eb-4503-8da0-6afcb7ad6bc0",
"source": "EF 3.1",
"cas_numbers": [
"49866-87-7"
],
"ec_numbers": [
"256-505-3"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Medium stack, <150 meters",
"population_density": "Rural (<1000 people/square mile)"
},
"synonyms": [],
"lcia_methods": [
{
"method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
"name": "Ecotoxicity, freshwater",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 205.3
},
{
"method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
"name": "Ecotoxicity, freshwater_organics",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 205.3
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"altLabel": [
{
"@value": "1,2-dimethyl-3,5-diphenyl-1H-pyrazolium",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "original name retained as altLabel"
}
},
{
"@value": "1H-Pyrazolium, 1,2-dimethyl-3,5-diphenyl-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:49866-87-7",
"https://commonchemistry.cas.org/detail?cas_rn=49866-87-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Avenge CP",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:49866-87-7",
"https://commonchemistry.cas.org/detail?cas_rn=49866-87-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-e6e3bec882a08e1e",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/dce4eb15-07eb-4503-8da0-6afcb7ad6bc0",
"skos:prefLabel": "1,2-dimethyl-3,5-diphenyl-1H-pyrazolium",
"context": "Emissions/Emissions to air/Emissions to non-urban air or from high stacks",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/dce4eb15-07eb-4503-8da0-6afcb7ad6bc0"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/dce4eb15-07eb-4503-8da0-6afcb7ad6bc0"
},
"provenance": {
"prov:wasGeneratedBy": "build_concept_associations",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
]
}
},
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ecoinvent/3.12/flow/96939227-1293-5022-9f47-b6f855a166a3",
"skos:prefLabel": "Difenzoquat",
"context": "air / non-urban air or from high stacks",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/dce4eb15-07eb-4503-8da0-6afcb7ad6bc0"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/dce4eb15-07eb-4503-8da0-6afcb7ad6bc0"
},
"provenance": {
"prov:wasGeneratedBy": "merge_ecoinvent",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent:3.12:96939227-1293-5022-9f47-b6f855a166a3",
"Difenzoquat",
"ecoinvent-3.11-biosphere-EF-3.1-biosphere"
],
"prov:wasDerivedFrom": "randonneur_replace_table:prepared_mapping"
}
}
],
"_sources": {
"prefLabel": "consensus_match",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"properties": "link_flows_to_their_substance",
"skos_definition": "enrich_references",
"references": "enrich_references",
"altLabel": "dedupe_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"49866-87-7": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "1,2-dimethyl-3,5-diphenyl-1H-pyrazolium",
"synonyms": [
"1,2-Dimethyl-3,5-diphenylpyrazolium ion",
"1,2-dimethyl-3,5-diphenylpyrazol-1-ium",
"1H-Pyrazolium, (1,2-dimethyl-3,5-diphenyl)-",
"1H-Pyrazolium, 1,2-dimethyl-3,5-diphenyl-",
"1H-Pyrazolium, 1,2-dimethyl-3,5-diphenyl- (9CI)",
"AC1L21O7",
"DIFENZOQUAT",
"Difenzoquat [ANSI:BSI:ISO]"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to non-urban air or from high stacks"
],
"cas_numbers": [
"49866-87-7"
],
"ec_numbers": [
"256-505-3"
],
"unit": "kg"
}
}