Brightway Flows 1.0
GitHub

Identity

Substance
fo-e0df17490e0a6210 Molecular complex
Source
EF 3.1
Unit
kg
Context
Environmental → Ground → Agricultural
CAS
531-85-1
EC
208-519-6

Context

Dimension
Environmental
Geography
Agricultural
Media
Ground

Alternative labels

4

Source lists

2
List Version Source flow Name there Why this flow
EF 3.1 fe0acd60-3ddc-11dd-b0d1-0050c2490048 benzidine dihydrochloride The consensus list is built from this one, so this row is the flow itself rather than something matched to it.
stepwise 2006-1.09 0d497751-5026-51cc-92d3-73628ce35256 Benzidine dihydrochloride The CAS numbers are the same (531-85-1); both name the same compartment.

Concept associations

2
Source list Source flow Name there Compartment there Match Conversion
EF 3.1 fe0acd60-3ddc-11dd-b0d1-0050c2490048 benzidine dihydrochloride Emissions/Emissions to soil/Emissions to agricultural soil exactMatch
stepwise 2006-1.09 0d497751-5026-51cc-92d3-73628ce35256 Benzidine Dihydrochloride Soil / agricultural closeMatch

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 Human toxicity, cancer 2.4499e-07
EF 3.1 consensus-flow-list Human toxicity, cancer 2.4499e-07 sole
EF 3.1 European Commission — JRC Human toxicity, cancer_organics 2.4499e-07
EF 3.1 consensus-flow-list Human toxicity, cancer_organics 2.4499e-07 sole
Stepwise 2006 2.-0 LCA consultants Human toxicity, carcinogens 5.353528
Stepwise 2006 consensus-flow-list Human toxicity, carcinogens 5.353528 sole

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": "Benzidine, dihydrochloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:531-85-1",
          "https://commonchemistry.cas.org/detail?cas_rn=531-85-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "[1,1′-Biphenyl]-4,4′-diamine hydrochloride (1:2)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:531-85-1",
          "https://commonchemistry.cas.org/detail?cas_rn=531-85-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "[1,1′-Biphenyl]-4,4′-diamine, dihydrochloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:531-85-1",
          "https://commonchemistry.cas.org/detail?cas_rn=531-85-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "[1,1′-Biphenyl]-4,4′-diamine, hydrochloride (1:2)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:531-85-1",
          "https://commonchemistry.cas.org/detail?cas_rn=531-85-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H14Cl2N2"
      ],
      "attested_by": {
        "C12H14Cl2N2": [
          "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:10754"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.Nc1ccc(-c2ccc(N)cc2)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "RUAXWVDEYJEWRY-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "RUAXWVDEYJEWRY-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:10754"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.Nc1ccc(-c2ccc(N)cc2)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Cl.Cl.Nc1ccc(-c2ccc(N)cc2)cc1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Benzidine Dihydrochloride"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.Nc1ccc(-c2ccc(N)cc2)cc1"
          ]
        }
      ],
      "attested_by": {
        "Cl.Cl.Nc1ccc(-c2ccc(N)cc2)cc1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C12H12N2.2ClH/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;;/h1-8H,13-14H2;2*1H"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Benzidine Dihydrochloride"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.Nc1ccc(-c2ccc(N)cc2)cc1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C12H12N2.2ClH/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;;/h1-8H,13-14H2;2*1H": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Benzidine Dihydrochloride"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Benzidine Dihydrochloride"
        ]
      },
      "attested_by": {
        "Benzidine Dihydrochloride": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        257.164
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=CC=C1C2=CC=C(C=C2)N)N.Cl.Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.Nc1ccc(-c2ccc(N)cc2)cc1"
          ]
        }
      ],
      "attested_by": {
        "257.164": [
          "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": [
        256.053404
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=CC=C1C2=CC=C(C=C2)N)N.Cl.Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.Nc1ccc(-c2ccc(N)cc2)cc1"
          ]
        }
      ],
      "attested_by": {
        "256.053404": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.007.746",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10754;CAS:531-85-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[531-85-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=531-85-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "531-85-1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID7020138",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10754;CAS:531-85-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[531-85-1]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LVU06XHC39",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10754;CAS:531-85-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[531-85-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/10754",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10754;CAS:531-85-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[531-85-1]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184470",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10754;CAS:531-85-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[531-85-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q26841199",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10754;CAS:531-85-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[531-85-1]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Benzidine Dihydrochloride",
      "@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/MolecularComplex"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "fe0acd60-3ddc-11dd-b0d1-0050c2490048",
  "identifier": "fe0acd60-3ddc-11dd-b0d1-0050c2490048",
  "source": "EF 3.1",
  "cas_numbers": [
    "531-85-1"
  ],
  "ec_numbers": [
    "208-519-6"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "synonyms": [],
  "lcia_methods": [
    {
      "method_uuid": "2299222a-bbd8-474f-9d4f-4dd1f18aea7c",
      "name": "Human toxicity, cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 2.4499e-7
    },
    {
      "method_uuid": "503699e0-eca9-4089-8bf8-e0f49c93e578",
      "name": "Human toxicity, cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 2.4499e-7
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-agri",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-e0df17490e0a6210",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-11dd-b0d1-0050c2490048",
        "skos:prefLabel": "benzidine dihydrochloride",
        "context": "Emissions/Emissions to soil/Emissions to agricultural soil",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/fe0acd60-3ddc-11dd-b0d1-0050c2490048"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/fe0acd60-3ddc-11dd-b0d1-0050c2490048"
      },
      "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"
        ]
      }
    },
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/stepwise/2006-1.09/flow/0d497751-5026-51cc-92d3-73628ce35256",
        "skos:prefLabel": "Benzidine Dihydrochloride",
        "context": "Soil / agricultural",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:closeMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/fe0acd60-3ddc-11dd-b0d1-0050c2490048"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/fe0acd60-3ddc-11dd-b0d1-0050c2490048"
      },
      "provenance": {
        "prov:wasGeneratedBy": "merge_stepwise",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "stepwise:2006-1.09:0d497751-5026-51cc-92d3-73628ce35256",
          "Benzidine Dihydrochloride",
          "",
          "algorithm.lookup_order=cas>ec>label",
          "algorithm.basis=cas:531-85-1",
          "algorithm.flow_object_candidates=1",
          "algorithm.elementary_candidates=13",
          "algorithm.selector_reason=exact-context-iri-match",
          "algorithm.score_rule=exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
        ],
        "prov:wasDerivedFrom": "algorithmic_fallback:lookup_order(cas>ec>label);basis(cas:531-85-1);flow_object_candidates(1);elementary_candidates(13);selector(exact-context-iri-match);exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
      }
    }
  ],
  "_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": {
    "531-85-1": "exactMatch"
  },
  "general_comment": "Correct mapping CAS and flow to be verified: yet unclear whether this is the sodium-, hydrochloride-, calcium-, potassium- or other salt or the pure substance that is emitted. Note that the CAS No is the relevant identifier, to which also the ILCD LCIA characterisation factors relate. Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
  "_transformed": true,
  "_provided": {
    "name": "benzidine dihydrochloride",
    "synonyms": [
      "(1,1'-Biphenyl)-4,4'-diamine",
      "1,1'-Biphenyl-4,4'-Diamine",
      "4'-Amino[1,1'-biphenyl]-4-ylamine",
      "4,4'-Bianiline",
      "4,4'-Biphenyldiamine",
      "4,4'-Biphenylenediamine",
      "4,4'-Diamino-1,1'-biphenyl",
      "4,4'-Diaminobiphenyl",
      "4,4'-Diaminodiphenyl",
      "4,4'-Diphenylenediamine",
      "4-(4-aminophenyl)aniline",
      "AC-907/25014310",
      "AC1L1O17",
      "AKOS000118878",
      "ALBB-005944",
      "BENZIDINE",
      "BIPHENYL,4,4'-DIAMINO",
      "Bensidine",
      "Benzidin",
      "Benzidina",
      "Benzidine (and its salts)",
      "Benzidine base",
      "Benzioine",
      "Benzydyna",
      "Biphenyl, 4,4'-diamino-",
      "Biphenyl,4,4'-diamino-",
      "C.I. 37225",
      "C.I. Azoic Diazo Component 112",
      "CI 37225",
      "CI Azoic diazo component 112",
      "Fast Corinth Base B",
      "I14-6066",
      "IFLab1_004231",
      "NCI-C03361",
      "Oprea1_312205",
      "SMR000033596",
      "STOCK6S-90151",
      "[1,1'-Biphenyl]-4,4'-diamine",
      "biphenyl-4,4'-diamine",
      "p,p'-Bianiline",
      "p,p'-Diaminobiphenyl",
      "p,p'-Dianiline",
      "p,p-Bianiline",
      "p-Benzidine",
      "p-Diaminodiphenyl"
    ],
    "context": [
      "Emissions",
      "Emissions to soil",
      "Emissions to agricultural soil"
    ],
    "cas_numbers": [
      "531-85-1"
    ],
    "ec_numbers": [
      "208-519-6"
    ],
    "unit": "kg"
  }
}

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A flow can be wrong in three ways, and they are decided differently. Pick the one that matches what you are looking at.

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