Brightway Flows 1.0
GitHub

Identity

Substance
fo-b04116df67e1c286 Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)
CAS
42221-52-3
EC
406-760-3, 609-997-2

Context

Dimension
Environmental
Media
Air
Population density
Rural (<1000 people/square mile)
Strata
Medium stack, <150 meters

Alternative labels

2

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 c0ffba42-4088-4624-9177-e85656daee1c 2,3,4,5-tetrachlorobenzoylchloride The consensus list is built from this one, so this row is the flow itself rather than something matched to it.

History

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

Open the changes page

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Full record

Flow JSON
{
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7HCl5O"
      ],
      "attested_by": {
        "C7HCl5O": [
          "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:5463797"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C(Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "IROWIXYGGPOJFJ-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "IROWIXYGGPOJFJ-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
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          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C(Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=C(Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,3,4,5-tetrachlorobenzoyl Chloride"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C(Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,3,4,5-tetrachlorobenzoylchloride"
          ]
        }
      ],
      "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/C7HCl5O/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H"
      ],
      "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": [
            "O=C(Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,3,4,5-tetrachlorobenzoylchloride"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C7HCl5O/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H": [
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2,3,4,5-tetrachlorobenzoyl Chloride",
        "2,3,4,5-tetrachlorobenzoylchloride"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2,3,4,5-tetrachlorobenzoyl Chloride",
          "2,3,4,5-tetrachlorobenzoylchloride"
        ]
      },
      "attested_by": {
        "2,3,4,5-tetrachlorobenzoyl Chloride": [
          "opsin_iupac"
        ],
        "2,3,4,5-tetrachlorobenzoylchloride": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        278.349
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C(Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl"
          ]
        }
      ],
      "attested_by": {
        "278.349": [
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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": [
        275.847003
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C(Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl"
          ]
        }
      ],
      "attested_by": {
        "275.847003": [
          "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=J152.978A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5463797;CAS:42221-52-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[42221-52-3]"
      }
    },
    {
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      }
    },
    {
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        ],
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      }
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        "prov:wasDerivedFrom": "pubchem.by_cas[42221-52-3]"
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    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72504739",
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        "prov:wasDerivedFrom": "pubchem.identifiers[42221-52-3]"
      }
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  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "c0ffba42-4088-4624-9177-e85656daee1c",
  "identifier": "c0ffba42-4088-4624-9177-e85656daee1c",
  "source": "EF 3.1",
  "cas_numbers": [
    "42221-52-3"
  ],
  "ec_numbers": [
    "406-760-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Medium stack, <150 meters",
    "population_density": "Rural (<1000 people/square mile)"
  },
  "synonyms": [],
  "lcia_methods": [
    {
      "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": 3.4566e-6
    },
    {
      "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": 3.4566e-6
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "prefLabel": [
    {
      "@value": "2,3,4,5-tetrachlorobenzoyl Chloride",
      "@language": "en",
      "@lang": "en",
      "source": {
        "prov:wasGeneratedBy": "substance_label_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "flow_object.prefLabel (fo-b04116df67e1c286)"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,3,4,5-Tetrachlorobenzoyl chloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:42221-52-3",
          "https://commonchemistry.cas.org/detail?cas_rn=42221-52-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoyl chloride, 2,3,4,5-tetrachloro-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-b04116df67e1c286",
  "concept_associations": [],
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:078b386f-0bfb-4a08-95b2-28b1dd51d5b8",
  "is_replaced_by_uuid": "078b386f-0bfb-4a08-95b2-28b1dd51d5b8",
  "_sources": {
    "prefLabel": "substance_label_v1",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "link_flows_to_their_substance",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match",
    "owl_deprecated": "pipeline.deduplication",
    "dcterms_is_replaced_by": "pipeline.deduplication",
    "is_replaced_by_uuid": "pipeline.deduplication",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "42221-52-3": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "2,3,4,5-tetrachlorobenzoylchloride",
    "synonyms": [
      "organic",
      "2,3,4,5-tetrachlorobenzoylchloride",
      "2,3,4,5-tetrachlorbenzoylchlorid"
    ],
    "context": [
      "Emissions",
      "Emissions to air",
      "Emissions to non-urban air or from high stacks"
    ],
    "cas_numbers": [
      "42221-52-3"
    ],
    "ec_numbers": [
      "406-760-3"
    ],
    "unit": "kg"
  }
}

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