Brightway Flows 1.0
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Chlorotoluene

08a91e70-3ddc-11dd-8ffb-0050c2490048

Identity

Substance
fo-b4da23ee2c0193d9 Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Water → Unknown
CAS
25168-05-2
EC
246-698-2

Context

Dimension
Environmental
Media
Water
Water body
Unknown

Alternative labels

6

Source lists

2
List Version Source flow Name there Why this flow
EF 3.1 08a91e70-3ddc-11dd-8ffb-0050c2490048 chlorotoluene 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 25926902-daaa-5f91-bcfe-49db04de0ccf Toluene, chloro- The CAS numbers are the same (25168-05-2); both name the same compartment.

Concept associations

2
Source list Source flow Name there Compartment there Match Conversion
EF 3.1 08a91e70-3ddc-11dd-8ffb-0050c2490048 chlorotoluene Emissions/Emissions to water/Emissions to water, unspecified exactMatch —
stepwise 2006-1.09 25926902-daaa-5f91-bcfe-49db04de0ccf Toluene, Chloro- Water / (unspecified) closeMatch —

Characterisation factors

4

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
Stepwise 2006 2.-0 LCA consultants Ecotoxicity, aquatic — 120,245.8426 —
Stepwise 2006 consensus-flow-list Ecotoxicity, aquatic — 120,245.8426 sole
Stepwise 2006 2.-0 LCA consultants Ecotoxicity, terrestrial — 0.231483 —
Stepwise 2006 consensus-flow-list Ecotoxicity, terrestrial — 0.231483 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": "ar-Chlorotoluene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:25168-05-2",
          "https://commonchemistry.cas.org/detail?cas_rn=25168-05-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "BC",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:25168-05-2",
          "https://commonchemistry.cas.org/detail?cas_rn=25168-05-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, chloromethyl-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:25168-05-2",
          "https://commonchemistry.cas.org/detail?cas_rn=25168-05-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chloromethylbenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:25168-05-2",
          "https://commonchemistry.cas.org/detail?cas_rn=25168-05-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Oxsol 10",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:25168-05-2",
          "https://commonchemistry.cas.org/detail?cas_rn=25168-05-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Toluene, ar-chloro-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:25168-05-2",
          "https://commonchemistry.cas.org/detail?cas_rn=25168-05-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Chlorotoluene"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Chlorotoluene"
        ]
      },
      "attested_by": {
        "Chlorotoluene": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "ClCc1ccccc1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Chlorotoluene"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "ClCc1ccccc1"
          ]
        }
      ],
      "attested_by": {
        "ClCc1ccccc1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Chlorotoluene"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "ClCc1ccccc1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "KCXMKQUNVWSEMD-UHFFFAOYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ClCc1ccccc1"
        ]
      },
      "attested_by": {
        "KCXMKQUNVWSEMD-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C7H7Cl"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ClCc1ccccc1"
        ]
      },
      "attested_by": {
        "C7H7Cl": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        126.586
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ClCc1ccccc1"
        ]
      },
      "attested_by": {
        "126.586": [
          "rdkit_post_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": [
        126.023628
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ClCc1ccccc1"
        ]
      },
      "attested_by": {
        "126.023628": [
          "rdkit_post_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=25168-05-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "25168-05-2"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Chlorotoluene",
      "@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": "08a91e70-3ddc-11dd-8ffb-0050c2490048",
  "identifier": "08a91e70-3ddc-11dd-8ffb-0050c2490048",
  "source": "EF 3.1",
  "cas_numbers": [
    "25168-05-2"
  ],
  "ec_numbers": [
    "246-698-2"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "synonyms": [],
  "lcia_methods": [],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-b4da23ee2c0193d9",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-11dd-8ffb-0050c2490048",
        "skos:prefLabel": "chlorotoluene",
        "context": "Emissions/Emissions to water/Emissions to water, unspecified",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/08a91e70-3ddc-11dd-8ffb-0050c2490048"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/08a91e70-3ddc-11dd-8ffb-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/25926902-daaa-5f91-bcfe-49db04de0ccf",
        "skos:prefLabel": "Toluene, Chloro-",
        "context": "Water / (unspecified)",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:closeMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/08a91e70-3ddc-11dd-8ffb-0050c2490048"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/08a91e70-3ddc-11dd-8ffb-0050c2490048"
      },
      "provenance": {
        "prov:wasGeneratedBy": "merge_stepwise",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "stepwise:2006-1.09:25926902-daaa-5f91-bcfe-49db04de0ccf",
          "Toluene, Chloro-",
          "",
          "algorithm.lookup_order=cas>ec>label",
          "algorithm.basis=cas:25168-05-2",
          "algorithm.flow_object_candidates=1",
          "algorithm.elementary_candidates=12",
          "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:25168-05-2);flow_object_candidates(1);elementary_candidates(12);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",
    "ec_numbers": "ec_cross_check",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "dedupe_altlabels",
    "cas_match_labels": "consensus_match",
    "properties": "normalise_property_values",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "25168-05-2": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "chlorotoluene",
    "synonyms": [
      "(Chloromethyl)benzene",
      "(Chloromethyl)polystyrene",
      ".alpha.-Chlorotoluene",
      ".alpha.-Chlortoluol",
      ".omega.-Chlorotoluene",
      "9CL",
      "AB1002890",
      "AC1L1OWP",
      "AC1Q3U1S",
      "AC1Q3U9J",
      "AKOS000118784",
      "B0412",
      "BENZYL CHLORIDE",
      "Benzene, (chloromethyl)-",
      "Benzene, chloromethyl-",
      "Benzile (cloruro di)",
      "Benzile(cloruro di)",
      "Benzylchlorid",
      "Benzylchloride",
      "Benzyle (chlorure de)",
      "Benzyle(chlorure de)",
      "Chloromethane on Rasta Resin",
      "Chloromethylbenzene",
      "Chlorophenylmethane",
      "Chlorure de benzyle",
      "Merrifield resin",
      "NCI-C06360",
      "Oxsol 10",
      "SBB040645",
      "TOLUENE,ALPHA-CHLORO",
      "Toluene, .alpha.-chloro-",
      "Toluene, alpha-chloro-",
      "Toluene, ar-chloro-",
      "Tolyl chloride",
      "alpha-Chlorotoluene",
      "alpha-Chlortoluol",
      "chloromethyl-benzene",
      "nchembio814-comp11",
      "omega-Chlorotoluene",
      "|A-Chlorotoluene"
    ],
    "context": [
      "Emissions",
      "Emissions to water",
      "Emissions to water, unspecified"
    ],
    "cas_numbers": [
      "25168-05-2"
    ],
    "ec_numbers": [],
    "unit": "kg"
  }
}

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