Consensus flow list

Identity

Substance
fo-51397c83f2237c63 Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Ground → Unknown
CAS
56634-95-8
EC
260-300-4

Context

Dimension
Environmental
Geography
Unknown
Media
Ground

Alternative labels

2

Source lists

2
List Version Source flow Name there Why this flow
EF 3.1 fe0acd60-3ddc-11dd-b198-0050c2490048 bromoxynil heptanoate The consensus list is built from this one, so this row is the flow itself rather than something matched to it.
ecoinvent 3.12 8a733067-f752-51bf-8ee0-9d76e04cd4e2 Bromoxynil Heptanoate 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 fe0acd60-3ddc-11dd-b198-0050c2490048 bromoxynil heptanoate Emissions/Emissions to soil/Emissions to soil, unspecified exactMatch
ecoinvent 3.12 8a733067-f752-51bf-8ee0-9d76e04cd4e2 Bromoxynil Heptanoate soil / unspecified exactMatch

Characterisation factors

6

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 ecoinvent Centre Ecotoxicity, freshwater 14.599
EF 3.1 consensus-flow-list Ecotoxicity, freshwater 14.599 agreed
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics 14.599
EF 3.1 ecoinvent Centre Ecotoxicity, freshwater_organics 14.599
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics 14.599 agreed

This flow in the difference report

History

The change log and the PROV-O trail (2 consensus changes)

Open the changes page

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": {
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          "rdkit_post_consensus"
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
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        },
        {
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          "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"
      ],
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        {
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          ]
        },
        {
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          "prov:hadPrimarySource": [
            "CCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br"
          ]
        }
      ],
      "attested_by": {
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          "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": [
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          ]
        },
        {
          "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": {
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        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
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          "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": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br"
          ]
        }
      ],
      "attested_by": {
        "389.087": [
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        ]
      },
      "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": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "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": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[56634-95-8]"
      }
    },
    {
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[56634-95-8]"
      }
    },
    {
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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    },
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    },
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        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[56634-95-8]"
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    },
    {
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        ],
        "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": "fe0acd60-3ddc-11dd-b198-0050c2490048",
  "identifier": "fe0acd60-3ddc-11dd-b198-0050c2490048",
  "source": "EF 3.1",
  "cas_numbers": [
    "56634-95-8"
  ],
  "ec_numbers": [
    "260-300-4"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Unknown"
  },
  "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-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-51397c83f2237c63",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
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        "skos:prefLabel": "bromoxynil heptanoate",
        "context": "Emissions/Emissions to soil/Emissions to soil, unspecified",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
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        }
      },
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      },
      "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": {
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        "skos:prefLabel": "Bromoxynil Heptanoate",
        "context": "soil / unspecified",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
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      },
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      },
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "Bromoxynil Heptanoate",
          "ecoinvent-3.11-biosphere-EF-3.1-biosphere"
        ],
        "prov:wasDerivedFrom": "randonneur_replace_table:prepared_mapping"
      }
    }
  ],
  "_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 soil, unspecified"
    ],
    "cas_numbers": [
      "56634-95-8"
    ],
    "ec_numbers": [
      "260-300-4"
    ],
    "unit": "kg"
  }
}

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