Brightway Flows 1.0
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Aryl Substituted Aryl Substituted Aryl Triazin

043977a2-4394-40f3-a7ef-f09f2b1d8e16

Identity

Substance
fo-2e50d3f4a72c6c19 Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Water → Long-term
CAS
252285-60-2
EC
607-654-1

Context

Dimension
Environmental
Media
Water
Water body
Long-term

Alternative labels

2

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 043977a2-4394-40f3-a7ef-f09f2b1d8e16 aryl substituted aryl substituted aryl triazin 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 043977a2-4394-40f3-a7ef-f09f2b1d8e16 aryl substituted aryl substituted aryl triazin Emissions/Emissions to water/Emissions to water, unspecified (long-term) exactMatch —

Characterisation factors

8

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 — 0 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater — 0 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics — 0 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics — 0 sole
EF 3.1 European Commission — JRC Human toxicity, non-cancer — 0 —
EF 3.1 consensus-flow-list Human toxicity, non-cancer — 0 sole
EF 3.1 European Commission — JRC Human toxicity, non-cancer_organics — 0 —
EF 3.1 consensus-flow-list Human toxicity, non-cancer_organics — 0 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": "2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:252285-60-2",
          "https://commonchemistry.cas.org/detail?cas_rn=252285-60-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, 2-[4-(4-ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:252285-60-2",
          "https://commonchemistry.cas.org/detail?cas_rn=252285-60-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C23H19N3O2"
      ],
      "attested_by": {
        "C23H19N3O2": [
          "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:136146573"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "PWWRPPKIWLDSIM-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "PWWRPPKIWLDSIM-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:136146573"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1"
          ]
        }
      ],
      "attested_by": {
        "CCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)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/C23H19N3O2/c1-2-28-18-14-12-17(13-15-18)22-24-21(16-8-4-3-5-9-16)25-23(26-22)19-10-6-7-11-20(19)27/h3-15,27H,2H2,1H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C23H19N3O2/c1-2-28-18-14-12-17(13-15-18)22-24-21(16-8-4-3-5-9-16)25-23(26-22)19-10-6-7-11-20(19)27/h3-15,27H,2H2,1H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol"
        ]
      },
      "attested_by": {
        "2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        369.424
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4O"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1"
          ]
        }
      ],
      "attested_by": {
        "369.424": [
          "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": [
        369.147727
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4O"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1"
          ]
        }
      ],
      "attested_by": {
        "369.147727": [
          "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=J2.971.527K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136146573;CAS:252285-60-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[252285-60-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=252285-60-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136146573;CAS:252285-60-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[252285-60-2]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID101044999",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[252285-60-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/136146573",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136146573;CAS:252285-60-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[252285-60-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q126606717",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136146573;CAS:252285-60-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[252285-60-2]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Aryl Substituted Aryl Substituted Aryl Triazin",
      "@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": "043977a2-4394-40f3-a7ef-f09f2b1d8e16",
  "identifier": "043977a2-4394-40f3-a7ef-f09f2b1d8e16",
  "source": "EF 3.1",
  "cas_numbers": [
    "252285-60-2"
  ],
  "ec_numbers": [
    "607-654-1"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Long-term"
  },
  "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": 0.0
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 0.0
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 0.0
    },
    {
      "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": 0.0
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-lote",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-2e50d3f4a72c6c19",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/043977a2-4394-40f3-a7ef-f09f2b1d8e16",
        "skos:prefLabel": "aryl substituted aryl substituted aryl triazin",
        "context": "Emissions/Emissions to water/Emissions to water, unspecified (long-term)",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/043977a2-4394-40f3-a7ef-f09f2b1d8e16"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/043977a2-4394-40f3-a7ef-f09f2b1d8e16"
      },
      "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": {
    "252285-60-2": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "aryl substituted aryl substituted aryl triazin",
    "synonyms": [
      "organic",
      "phenol,2-[4-(4-ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-",
      "notyetknownothernames2-[4-(4-ethoxy-phenyl)-6-phenyl-[1,3,5]triazin-2-yl]-phenol"
    ],
    "context": [
      "Emissions",
      "Emissions to water",
      "Emissions to water, unspecified (long-term)"
    ],
    "cas_numbers": [
      "252285-60-2"
    ],
    "ec_numbers": [
      "607-654-1"
    ],
    "unit": "kg"
  }
}

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