Brightway Flows 1.0
GitHub

Identity

Substance
fo-b04116df67e1c286 Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS
42221-52-3
EC
406-760-3, 609-997-2

Context

Dimension
Environmental
Media
Air
Population density
Urban (>1000 people/square mile)
Strata
Ground level

Alternative labels

1

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 614b39b4-7b14-4d85-a14e-5c2ba2f8c438 2,3,4,5-tetrachlorobenzoyl chloride 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

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
{
  "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",
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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"
          ]
        }
      ]
    },
    "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": [
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "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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        ]
      }
    },
    "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": [
        {
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          "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": {
        "InChI=1S/C7HCl5O/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H": [
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          "rdkit_post_consensus"
        ]
      }
    },
    "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": [
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          "2,3,4,5-tetrachlorobenzoylchloride"
        ]
      },
      "attested_by": {
        "2,3,4,5-tetrachlorobenzoyl Chloride": [
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        ],
        "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": [
    {
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      "provenance": {
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        "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:hadPrimarySource": [
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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": "614b39b4-7b14-4d85-a14e-5c2ba2f8c438",
  "identifier": "614b39b4-7b14-4d85-a14e-5c2ba2f8c438",
  "source": "EF 3.1",
  "cas_numbers": [
    "42221-52-3"
  ],
  "ec_numbers": [
    "609-997-2"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Urban (>1000 people/square mile)"
  },
  "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": 50.738
    },
    {
      "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": 50.738
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "prefLabel": [
    {
      "@value": "2,3,4,5-tetrachlorobenzoyl Chloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Benzoyl chloride, 2,3,4,5-tetrachloro-",
      "@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"
      }
    }
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq",
  "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:4f0725fe-ce5b-43a0-8796-39f654cc680f",
  "is_replaced_by_uuid": "4f0725fe-ce5b-43a0-8796-39f654cc680f",
  "_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": "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-tetrachlorobenzoyl chloride",
    "synonyms": [
      "organic",
      "2,3,4,5-tetrachlorobenzoylchloride",
      "2,3,4,5-tetrachlorbenzoylchlorid"
    ],
    "context": [
      "Emissions",
      "Emissions to air",
      "Emissions to urban air close to ground"
    ],
    "cas_numbers": [
      "42221-52-3"
    ],
    "ec_numbers": [
      "609-997-2"
    ],
    "unit": "kg"
  }
}

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