Brightway Flows 1.0
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Bromoxynil Heptanoate

445a6532550824b2b6232404789cb5dba06adb39

Identity

Substance
fo-51397c83f2237c63 Neutral molecule
Source
ecoinvent algorithm addition
Unit
kg
Context
Environmental → Ground → Silvicultural
CAS
56634-95-8
EC
260-300-4

Context

Dimension
Environmental
Geography
Silvicultural
Media
Ground

Alternative labels

2

Source lists

1
List Version Source flow Name there Why this flow
ecoinvent 3.12 c5028074-d56e-534b-8227-450ff1d60051 Bromoxynil heptanoate The CAS numbers are the same (56634-95-8); no flow of this substance sat in that compartment, so this one was created for the row.

Concept associations

1
Source list Source flow Name there Compartment there Match Conversion
ecoinvent 3.12 c5028074-d56e-534b-8227-450ff1d60051 Bromoxynil Heptanoate soil / forestry exactMatch —

Characterisation factors

5

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 ecoinvent Centre Ecotoxicity, freshwater — 14.599 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater — 14.599 restated
EF 3.1 ecoinvent Centre Ecotoxicity, freshwater_organics — 14.599 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics — 14.599 restated
Stepwise 2006 consensus-flow-list Ecotoxicity, aquatic — 3.07378 carried

This flow in the difference report

History

The change log and the PROV-O trail (0 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",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56634-95-8",
          "EF 3.1",
          "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",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56634-95-8",
          "EF 3.1",
          "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": [
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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        },
        {
          "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": {
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      "rdfs:label": "SMILES",
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        "CCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br"
      ],
      "provenance": [
        {
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          "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": {
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        ]
      }
    },
    "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": [
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        },
        {
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          ]
        }
      ],
      "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": [
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        ]
      }
    },
    "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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        ]
      },
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "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": {
        "389.087": [
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          "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": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[56634-95-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=56634-95-8",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[56634-95-8]"
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    },
    {
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    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EK18N93FQB",
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        ],
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    },
    {
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        "prov:wasDerivedFrom": "pubchem.by_cas[56634-95-8]"
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    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27889458",
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[56634-95-8]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Bromoxynil Heptanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "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": "445a6532550824b2b6232404789cb5dba06adb39",
  "identifier": "",
  "name": "Bromoxynil Heptanoate",
  "source": "ecoinvent algorithm addition",
  "cas_numbers": [
    "56634-95-8"
  ],
  "ec_numbers": [
    "260-300-4"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Silvicultural"
  },
  "synonyms": [],
  "lcia_methods": [],
  "unit": "kg",
  "input_datasets": [],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-silv",
  "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": "soil / forestry",
        "qudt:hasUnit": {
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        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/445a6532550824b2b6232404789cb5dba06adb39"
        }
      },
      "xkos:targetConcept": {
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          "",
          "algorithm.lookup_order=cas>ec>label",
          "algorithm.basis=cas:56634-95-8",
          "algorithm.flow_object_candidates=1",
          "algorithm.elementary_candidates=13",
          "algorithm.selector_reason=new-elementary-flow-created",
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          "algorithm.winning_score=3",
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        ],
        "prov:wasDerivedFrom": "algorithmic_fallback:lookup_order(cas>ec>label);basis(cas:56634-95-8);flow_object_candidates(1);elementary_candidates(13);selector(new-elementary-flow-created);exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
      }
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  "_sources": {},
  "cas_match_labels": {},
  "general_comment": "",
  "_transformed": false,
  "_provided": {
    "name": null,
    "synonyms": [],
    "context": [],
    "cas_numbers": [],
    "ec_numbers": [],
    "unit": null
  },
  "elementary_flow_id": "445a6532550824b2b6232404789cb5dba06adb39"
}

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