Para-trifluoromethyl-chloro-benzene

Substance: fo-d35fa4d9f57ee569 Neutral molecule
Source: EF 3.1
Unit: kg
Context: Environmental → Water → Surface water
CAS: 939-99-1
EC: —

Dimension: Environmental
Media: Water
Water body: Surface water

List	Version	Source flow	Name there	Why this flow
EF	3.1	172b010a-6556-11dd-ad8b-0800200c9a66	para-trifluoromethyl-chloro-benzene	The consensus list is built from this one, so this row is the flow itself rather than something matched to it.

Source list	Source flow	Name there	Compartment there	Match	Conversion
EF 3.1	172b010a-6556-11dd-ad8b-0800200c9a66	para-trifluoromethyl-chloro-benzene	Emissions/Emissions to water/Emissions to fresh water	exactMatch	—

The change log and the PROV-O trail (1 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.

Flow JSON

{
  "altLabel": [],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H4ClF3",
        "C8H6ClF3"
      ],
      "attested_by": {
        "C8H6ClF3": [
          "enrich_references.pubchem_semantic"
        ],
        "C7H4ClF3": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:123096"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(F)c1ccc(Cl)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "MCHDHQVROPEJJT-UHFFFAOYSA-N",
        "QULYNCCPRWKEMF-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "MCHDHQVROPEJJT-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "QULYNCCPRWKEMF-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:123096"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(F)c1ccc(Cl)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "FC(F)(F)c1ccc(Cl)cc1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Para-trifluoromethyl-chloro-benzene"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(F)c1ccc(Cl)cc1"
          ]
        }
      ],
      "attested_by": {
        "FC(F)(F)c1ccc(Cl)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/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Para-trifluoromethyl-chloro-benzene"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(F)c1ccc(Cl)cc1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Para-trifluoromethyl-chloro-benzene"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Para-trifluoromethyl-chloro-benzene"
        ]
      },
      "attested_by": {
        "Para-trifluoromethyl-chloro-benzene": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J474.240K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:123096;CAS:939-99-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[939-99-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.155.872",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:123096;CAS:939-99-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[939-99-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=939-99-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "939-99-1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID20239870",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:123096;CAS:939-99-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[939-99-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/123096",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:123096;CAS:939-99-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[939-99-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72511787",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:123096;CAS:939-99-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[939-99-1]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Para-trifluoromethyl-chloro-benzene",
      "@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": "172b010a-6556-11dd-ad8b-0800200c9a66",
  "identifier": "172b010a-6556-11dd-ad8b-0800200c9a66",
  "source": "EF 3.1",
  "cas_numbers": [
    "939-99-1"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Surface water"
  },
  "synonyms": [],
  "lcia_methods": [],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-suwa",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-d35fa4d9f57ee569",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/172b010a-6556-11dd-ad8b-0800200c9a66",
        "skos:prefLabel": "para-trifluoromethyl-chloro-benzene",
        "context": "Emissions/Emissions to water/Emissions to fresh water",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/172b010a-6556-11dd-ad8b-0800200c9a66"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/172b010a-6556-11dd-ad8b-0800200c9a66"
      },
      "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": "withhold_ambiguous_mass",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "939-99-1": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "para-trifluoromethyl-chloro-benzene",
    "synonyms": [
      "1-(chloromethyl)-4-(trifluoromethyl)benzene",
      "4-(Chloromethyl)benzotrifluoride",
      "4-(Trifluoromethyl)benzyl chloride",
      "4-Trifluoromethylbenzyl chloride",
      "4-trifluoromethyl benzyl chloride",
      "AC1L3VUO",
      "AC1Q3U8R",
      "AC1Q4J3H",
      "AC1Q4J3I",
      "AKOS000118139",
      "ALBB-006036",
      "FT-0085054",
      "JRD-0775",
      "SBB006696",
      "alpha'-Chloro-alpha,alpha,alpha-trifluoro-p-xylene",
      "alpha-Chloro-alpha',alpha',alpha'-trifluoro-p-xylene",
      "g1r dxfff",
      "p-(trifluoromethyl)benzyl chloride",
      "p-Trifluoromethylbenzyl chloride"
    ],
    "context": [
      "Emissions",
      "Emissions to water",
      "Emissions to fresh water"
    ],
    "cas_numbers": [
      "939-99-1"
    ],
    "ec_numbers": [],
    "unit": "kg"
  }
}

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

You do not need to run a build or clone anything. Name the row and say what your evidence is; the measurement is done for you. How contributing works

Para-trifluoromethyl-chloro-benzene

Identity

Context

Source lists

Concept associations

History

Full record

Something wrong here?

Keyboard