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Hexachlorobiphenyl

2D structure
Flow Object IDfo-4cbdbcf68ecea686
TypeConsensus
prefLabel
Label Language
Hexachlorobiphenyl en
CAS Numbers 26601-64-9
Changes Applied12

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow08a91e70-3ddc-11dd-946b-0050c2490048

Properties

Predicate Value
InChIKey MCWPVCQPLHZAAD-UHFFFAOYSA-N, RUEIBQJFGMERJD-UHFFFAOYSA-N
InChI InChI=1S/C12H4Cl6/c13-6-4-2-1-3-5(6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H
IUPAC name Hexachlorobiphenyl
Molecular formula C12H4Cl6, C9H8N2O3
Molecular mass 360.882
Monoisotopic mass 357.844416
SMILES Clc1ccccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
3e4cdb6f… EF 3.1 kg Environmental → Air → Aircraft cruise height 0 1
08a91e70… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
08a91e70… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 0 1
08a91e70… EF 3.1 kg Environmental → Air → High stack, >150 meters 0 1
08a91e70… EF 3.1 kg Environmental → Air → Unknown 0 1
3e4cdb6d… EF 3.1 kg Environmental → Ground → Agricultural 0 1
3e4cdb70… EF 3.1 kg Environmental → Ground → Unknown 0 1
3e4cdb71… EF 3.1 kg Environmental → Water → Ocean 0 1
3e4cdb6e… EF 3.1 kg Environmental → Water → Surface water 0 1
3e4cdb73… EF 3.1 kg Environmental → Water → Unknown 0 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
08a91e70… cas_match_labels — {"26601-64-9":"exactMatch"} group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'}
08a91e70… cas_match_labels — {"26601-64-9":"exactMatch"} group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'}
08a91e70… cas_match_labels — {"26601-64-9":"exactMatch"} group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'}
08a91e70… cas_match_labels — {"26601-64-9":"exactMatch"} group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'}
3e4cdb6d… cas_match_labels — {"26601-64-9":"exactMatch"} group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'}
3e4cdb6e… cas_match_labels — {"26601-64-9":"exactMatch"} group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'}
3e4cdb6f… cas_match_labels — {"26601-64-9":"exactMatch"} group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'}
3e4cdb70… cas_match_labels — {"26601-64-9":"exactMatch"} group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'}
3e4cdb71… cas_match_labels — {"26601-64-9":"exactMatch"} group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'}
3e4cdb72… cas_match_labels — {"26601-64-9":"exactMatch"} group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'}
3e4cdb73… cas_match_labels — {"26601-64-9":"exactMatch"} group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'}
3e4cdb74… cas_match_labels — {"26601-64-9":"exactMatch"} group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-4cbdbcf68ecea686",
  "prefLabel": [
    {
      "@value": "Hexachlorobiphenyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H4Cl6",
        "C9H8N2O3"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Clc1ccccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "MCWPVCQPLHZAAD-UHFFFAOYSA-N",
        "RUEIBQJFGMERJD-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Clc1ccccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"
      ],
      "provenance": [
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        {
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          "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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      ],
      "provenance": [
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          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Hexachlorobiphenyl"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
        "360.882"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "Clc1ccccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"
          ]
        }
      ],
      "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": [
        "357.844416"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Clc1ccccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"
          ]
        }
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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