← Back to consensus flows

4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine

UUID a7b7df4b-8595-46f3-a331-00382daa359c
Deprecated yes
Replaced By 2fb70c35-e109-4990-b824-1bb98675a8f9
Flow Object IDfo-bac2e18a65dbd8be
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 213265-81-7
EC Numbers 606-738-5
prefLabel
Language Value Provenance
en 4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine
altLabel ⓘ
Language Value Provenance
en Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-
References
Shared Properties
Predicate Value
InChIKey QUPCVYNKLSILKS-UHFFFAOYSA-N, RGBIKVOIODUDLX-UHFFFAOYSA-N
InChI InChI=1S/C10H5Cl2FN2O/c11-6-3-1-2-4-7(6)16-10-8(13)9(12)14-5-15-10/h1-5H, InChI=1S/C11H7Cl2FN2/c12-8-4-2-1-3-7(8)5-9-10(14)11(13)16-6-15-9/h1-4,6H,5H2
IUPAC name 4-chloranyl-6-(2-chloranylphenoxy)-5-fluoranyl-pyrimidine, 4-chloranyl-6-[(2-chlorophenyl)methyl]-5-fluoranyl-pyrimidine, 4-chloro-6-(2-chlorobenzyl)-5-fluoro-pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine, 4-chloro-6-[(2-chlorophenyl)methyl]-5-fluoro-pyrimidine, 4-chloro-6-[(2-chlorophenyl)methyl]-5-fluoropyrimidine
Molecular formula C10H5Cl2FN2O, C11H7Cl2FN2
Molecular mass 257.095
Monoisotopic mass 255.997032
SMILES C1=CC=C(C(=C1)CC2=C(C(=NC=N2)Cl)F)Cl, C1=CC=C(C(=C1)OC2=C(C(=NC=N2)Cl)F)Cl, Fc1c(Cl)ncnc1Cc1ccccc1Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 a7b7df4b-8595-46f3-a331-00382daa359c 4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; cas=213265-81-7; added Common Chemistry CAS names as altLabel: Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-; object_uuid=fo-bac2e18a65dbd8be
cas_match_labels 1 — consensus_match group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'213265-81-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bac2e18a65dbd8be: {'213265-81-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:213265-81-7', 'https://commonchemistry.cas.org/detail?cas_rn=213265-81-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; cas=213265-81-7; added Common Chemistry CAS names as altLabel: Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-; object_uuid=fo-bac2e18a65dbd8be
cas_match_labels None {'213265-81-7': 'exactMatch'} group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'213265-81-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bac2e18a65dbd8be: {'213265-81-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "a7b7df4b-8595-46f3-a331-00382daa359c",
  "name": null,
  "cas_numbers": [
    "213265-81-7"
  ],
  "ec_numbers": [
    "606-738-5"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "a7b7df4b-8595-46f3-a331-00382daa359c",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "a7b7df4b-8595-46f3-a331-00382daa359c",
      "source_flow_name": "4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to water",
          "Emissions to water, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "rdkit_post_consensus",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H5Cl2FN2O",
        "C11H7Cl2FN2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11230678",
            "CID:165364822"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)CC2=C(C(=NC=N2)Cl)F)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "QUPCVYNKLSILKS-UHFFFAOYSA-N",
        "RGBIKVOIODUDLX-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11230678",
            "CID:165364822"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)CC2=C(C(=NC=N2)Cl)F)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC=C(C(=C1)CC2=C(C(=NC=N2)Cl)F)Cl",
        "C1=CC=C(C(=C1)OC2=C(C(=NC=N2)Cl)F)Cl",
        "Fc1c(Cl)ncnc1Cc1ccccc1Cl"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11230678",
            "CID:165364822"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)CC2=C(C(=NC=N2)Cl)F)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)CC2=C(C(=NC=N2)Cl)F)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C10H5Cl2FN2O/c11-6-3-1-2-4-7(6)16-10-8(13)9(12)14-5-15-10/h1-5H",
        "InChI=1S/C11H7Cl2FN2/c12-8-4-2-1-3-7(8)5-9-10(14)11(13)16-6-15-9/h1-4,6H,5H2"
      ],
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11230678",
            "CID:165364822"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)CC2=C(C(=NC=N2)Cl)F)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "4-chloranyl-6-(2-chloranylphenoxy)-5-fluoranyl-pyrimidine",
        "4-chloranyl-6-[(2-chlorophenyl)methyl]-5-fluoranyl-pyrimidine",
        "4-chloro-6-(2-chlorobenzyl)-5-fluoro-pyrimidine",
        "4-chloro-6-(2-chlorophenoxy)-5-fluoro-pyrimidine",
        "4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine",
        "4-chloro-6-[(2-chlorophenyl)methyl]-5-fluoro-pyrimidine",
        "4-chloro-6-[(2-chlorophenyl)methyl]-5-fluoropyrimidine"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11230678",
          "CID:165364822"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "257.095"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)CC2=C(C(=NC=N2)Cl)F)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)CC2=C(C(=NC=N2)Cl)F)Cl"
          ]
        }
      ],
      "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": [
        "255.997032"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)CC2=C(C(=NC=N2)Cl)F)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)CC2=C(C(=NC=N2)Cl)F)Cl"
          ]
        }
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.107.639",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11230678;CAS:213265-81-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[213265-81-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=213265-81-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11230678;CAS:213265-81-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[213265-81-7]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID101036156",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:165364822;CAS:213265-81-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[213265-81-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/11230678",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11230678;CAS:213265-81-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[213265-81-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/165364822",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:165364822;CAS:213265-81-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[213265-81-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q126673457",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11230678;CAS:213265-81-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[213265-81-7]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:213265-81-7",
          "https://commonchemistry.cas.org/detail?cas_rn=213265-81-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "213265-81-7": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:2fb70c35-e109-4990-b824-1bb98675a8f9",
  "is_replaced_by_uuid": "2fb70c35-e109-4990-b824-1bb98675a8f9",
  "flow_object_id": "fo-bac2e18a65dbd8be"
}