Bromoxynil Heptanoate
08a91e70-3ddc-11dd-914e-0050c2490048
Identity
- Substance
- fo-51397c83f2237c63 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Ground → Non-agricultural
- CAS
- 56634-95-8
- EC
- 260-300-4
Context
- Dimension
- Environmental
- Geography
- Non-agricultural
- Media
- Ground
Alternative labels
2- 2,6-Dibromo-4-cyanophenyl heptanoate
- Heptanoic acid, 2,6-dibromo-4-cyanophenyl ester
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 08a91e70-3ddc-11dd-914e-0050c2490048 | bromoxynil heptanoate | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | 08a91e70-3ddc-11dd-914e-0050c2490048 | bromoxynil heptanoate | Emissions/Emissions to soil/Emissions to non-agricultural soil | exactMatch | — |
Characterisation factors
4- consensus-flow-list 2
- European Commission — JRC 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 | — | 14.599 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 14.599 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 14.599 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 14.599 | sole |
History
The change log and the PROV-O trail (2 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
{
"altLabel": [
{
"@value": "2,6-Dibromo-4-cyanophenyl heptanoate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:56634-95-8",
"https://commonchemistry.cas.org/detail?cas_rn=56634-95-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Heptanoic acid, 2,6-dibromo-4-cyanophenyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:56634-95-8",
"https://commonchemistry.cas.org/detail?cas_rn=56634-95-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C14H15Br2NO2"
],
"attested_by": {
"C14H15Br2NO2": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:62119"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"BHZWBQPHPLFZSV-UHFFFAOYSA-N"
],
"attested_by": {
"BHZWBQPHPLFZSV-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:62119"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,6-Dibromo-4-cyanophenyl heptanoate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br"
]
}
],
"attested_by": {
"CCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C14H15Br2NO2/c1-2-3-4-5-6-13(18)19-14-11(15)7-10(9-17)8-12(14)16/h7-8H,2-6H2,1H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,6-Dibromo-4-cyanophenyl heptanoate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br"
]
}
],
"attested_by": {
"InChI=1S/C14H15Br2NO2/c1-2-3-4-5-6-13(18)19-14-11(15)7-10(9-17)8-12(14)16/h7-8H,2-6H2,1H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2,6-Dibromo-4-cyanophenyl heptanoate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,6-Dibromo-4-cyanophenyl heptanoate"
]
},
"attested_by": {
"2,6-Dibromo-4-cyanophenyl heptanoate": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
389.087
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br"
]
}
],
"attested_by": {
"389.087": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
386.946953
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br"
]
}
],
"attested_by": {
"386.946953": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J267.065H",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:62119;CAS:56634-95-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[56634-95-8]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.054.801",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:62119;CAS:56634-95-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[56634-95-8]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=56634-95-8",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:62119;CAS:56634-95-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[56634-95-8]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID8032592",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:62119;CAS:56634-95-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[56634-95-8]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EK18N93FQB",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:62119;CAS:56634-95-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[56634-95-8]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/62119",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:62119;CAS:56634-95-8"
],
"prov:wasDerivedFrom": "pubchem.by_cas[56634-95-8]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27889458",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:62119;CAS:56634-95-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[56634-95-8]"
}
}
],
"prefLabel": [
{
"@value": "Bromoxynil Heptanoate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"http://www.w3.org/2004/02/skos/core#definition": [],
"uuid": "08a91e70-3ddc-11dd-914e-0050c2490048",
"identifier": "08a91e70-3ddc-11dd-914e-0050c2490048",
"source": "EF 3.1",
"cas_numbers": [
"56634-95-8"
],
"ec_numbers": [
"260-300-4"
],
"context": {
"dimension": "Environmental",
"media": "Ground",
"geography": "Non-agricultural"
},
"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": 14.599
},
{
"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": 14.599
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-noag",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-51397c83f2237c63",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-11dd-914e-0050c2490048",
"skos:prefLabel": "bromoxynil heptanoate",
"context": "Emissions/Emissions to soil/Emissions to non-agricultural soil",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/08a91e70-3ddc-11dd-914e-0050c2490048"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/08a91e70-3ddc-11dd-914e-0050c2490048"
},
"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"
]
}
}
],
"_sources": {
"prefLabel": "normalize_name_case",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"properties": "normalise_property_values",
"skos_definition": "enrich_references",
"references": "enrich_references",
"altLabel": "consensus_match",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"56634-95-8": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "bromoxynil heptanoate",
"synonyms": [
"(2,6-dibromo-4-cyanophenyl) heptanoate",
"2,6-Dibromo-4-cyanophenyl heptanoate",
"AC1L1WIP",
"Buctril 4",
"Heptanoic acid, 2,6-dibromo-4-cyanophenyl ester"
],
"context": [
"Emissions",
"Emissions to soil",
"Emissions to non-agricultural soil"
],
"cas_numbers": [
"56634-95-8"
],
"ec_numbers": [
"260-300-4"
],
"unit": "kg"
}
}