Heptachlorobicyclo[2.2.1]hept-2-ene

← Back to consensus flows

Heptachlorobicyclo[2.2.1]hept-2-ene

UUID b899336b-03fb-46ed-a6e1-8040147f74b5

Flow Object ID fo-466a944df82c8654

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 28680-45-7

EC Numbers 249-153-7

prefLabel

Language	Value	Provenance
`en`	`Heptachlorobicyclo[2.2.1]hept-2-ene`

altLabel ⓘ

Language	Value	Provenance
`en`	`Bicyclo[2.2.1]hept-2-ene, heptachloro-`

References

Shared Properties

Predicate	Value
InChIKey	`BJNDSDWXVRYXKM-UHFFFAOYSA-N, PXTADLCAVHRXCA-UHFFFAOYSA-N, YGCGNMLFVCPMEZ-UHFFFAOYSA-N`
InChI	`InChI=1S/C7H3Cl7/c8-2-1-5(11)3(9)4(10)6(2,12)7(5,13)14/h1,3-4H, InChI=1S/C7H3Cl7/c8-2-3(9)6(12)1-5(2,11)4(10)7(6,13)14/h4H,1H2, InChI=1S/C7H3Cl7/c8-3-4(9)1-2-5(3,10)7(13,14)6(4,11)12/h1-3H`
IUPAC name	`1,2,3,4,5,5,6-heptachlorobicyclo[2.2.1]hept-2-ene, 1,2,3,4,5,5,6-heptakis(chloranyl)bicyclo[2.2.1]hept-2-ene, 1,2,4,5,6,7,7-heptachlorobicyclo[2.2.1]hept-2-ene, 1,2,4,5,6,7,7-heptakis(chloranyl)bicyclo[2.2.1]hept-2-ene, 1,4,5,5,6,6,7-heptachlorobicyclo[2.2.1]hept-2-ene, 1,4,5,5,6,6,7-heptakis(chloranyl)bicyclo[2.2.1]hept-2-ene`
Molecular formula	`C7H3Cl7`
SMILES	`C1=C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)Cl, C1=CC2(C(C1(C(C2(Cl)Cl)(Cl)Cl)Cl)Cl)Cl, C1C2(C(C(C1(C(=C2Cl)Cl)Cl)(Cl)Cl)Cl)Cl`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`b899336b-03fb-46ed-a6e1-8040147f74b5`	heptachlorobicyclo[2.2.1]hept-2-ene

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	heptachlorobicyclo[2.2.1]hept-2-ene	Emissions/Emissions to air/Emissions to air, unspecified	kg	`exactMatch`	—

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=heptachlorobicyclo[2.2.1]hept-2-ene\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=28680-45-7; added Common Chemistry CAS names as altLabel: Bicyclo[2.2.1]hept-2-ene, heptachloro-; object_uuid=fo-466a944df82c8654
`cas_match_labels`	1	`—`	consensus_match	group_key=heptachlorobicyclo[2.2.1]hept-2-ene\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'28680-45-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-466a944df82c8654: {'28680-45-7': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	`[{'@value': 'Bicyclo[2.2.1]hept-2-ene, heptachloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28680-45-7', 'https://commonchemistry.cas.org/detail?cas_rn=28680-45-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]`	group_key=heptachlorobicyclo[2.2.1]hept-2-ene\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=28680-45-7; added Common Chemistry CAS names as altLabel: Bicyclo[2.2.1]hept-2-ene, heptachloro-; object_uuid=fo-466a944df82c8654
`cas_match_labels`	`None`	`{'28680-45-7': 'exactMatch'}`	group_key=heptachlorobicyclo[2.2.1]hept-2-ene\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'28680-45-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-466a944df82c8654: {'28680-45-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "b899336b-03fb-46ed-a6e1-8040147f74b5",
  "name": null,
  "cas_numbers": [
    "28680-45-7"
  ],
  "ec_numbers": [
    "249-153-7"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "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": 19.87
    },
    {
      "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": 19.87
    }
  ],
  "source": "EF 3.1",
  "identifier": "b899336b-03fb-46ed-a6e1-8040147f74b5",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "b899336b-03fb-46ed-a6e1-8040147f74b5",
      "source_flow_name": "heptachlorobicyclo[2.2.1]hept-2-ene",
      "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 air",
          "Emissions to air, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Heptachlorobicyclo[2.2.1]hept-2-ene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_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": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-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": [
        "C7H3Cl7"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:34308",
          "CID:23620157",
          "CID:73555685"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BJNDSDWXVRYXKM-UHFFFAOYSA-N",
        "PXTADLCAVHRXCA-UHFFFAOYSA-N",
        "YGCGNMLFVCPMEZ-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:34308",
          "CID:23620157",
          "CID:73555685"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)Cl",
        "C1=CC2(C(C1(C(C2(Cl)Cl)(Cl)Cl)Cl)Cl)Cl",
        "C1C2(C(C(C1(C(=C2Cl)Cl)Cl)(Cl)Cl)Cl)Cl"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:34308",
          "CID:23620157",
          "CID:73555685"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C7H3Cl7/c8-2-1-5(11)3(9)4(10)6(2,12)7(5,13)14/h1,3-4H",
        "InChI=1S/C7H3Cl7/c8-2-3(9)6(12)1-5(2,11)4(10)7(6,13)14/h4H,1H2",
        "InChI=1S/C7H3Cl7/c8-3-4(9)1-2-5(3,10)7(13,14)6(4,11)12/h1-3H"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:34308",
          "CID:23620157",
          "CID:73555685"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1,2,3,4,5,5,6-heptachlorobicyclo[2.2.1]hept-2-ene",
        "1,2,3,4,5,5,6-heptakis(chloranyl)bicyclo[2.2.1]hept-2-ene",
        "1,2,4,5,6,7,7-heptachlorobicyclo[2.2.1]hept-2-ene",
        "1,2,4,5,6,7,7-heptakis(chloranyl)bicyclo[2.2.1]hept-2-ene",
        "1,4,5,5,6,6,7-heptachlorobicyclo[2.2.1]hept-2-ene",
        "1,4,5,5,6,6,7-heptakis(chloranyl)bicyclo[2.2.1]hept-2-ene"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:34308",
          "CID:23620157",
          "CID:73555685"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J678.151I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23620157;CAS:28680-45-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28680-45-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=28680-45-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "28680-45-7"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID40951345",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:73555685;CAS:28680-45-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28680-45-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/23620157",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23620157;CAS:28680-45-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[28680-45-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/34308",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:34308;CAS:28680-45-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[28680-45-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/73555685",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:73555685;CAS:28680-45-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[28680-45-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q126612909",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23620157;CAS:28680-45-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28680-45-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82929625",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:73555685;CAS:28680-45-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28680-45-7]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Bicyclo[2.2.1]hept-2-ene, heptachloro-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:28680-45-7",
          "https://commonchemistry.cas.org/detail?cas_rn=28680-45-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "28680-45-7": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/b899336b-03fb-46ed-a6e1-8040147f74b5",
        "skos:prefLabel": "heptachlorobicyclo[2.2.1]hept-2-ene",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/b899336b-03fb-46ed-a6e1-8040147f74b5"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "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"
        ]
      }
    }
  ],
  "flow_object_id": "fo-466a944df82c8654"
}