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2,3,6-trichlorophenol

2D structure
Flow Object IDfo-b2549a778b62fa7b
TypeConsensus
prefLabel
Label Language
2,3,6-trichlorophenol en
Alt Labels
Label Language Provenance
Phenol, 2,3,6-trichloro- en —
CAS Numbers 933-75-5
EC Numbers 213-271-7
Changes Applied26

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow007d9324-01be-4c5b-afc0-5726e6ce5724

Properties

Predicate Value
InChIKey XGCHAIDDPMFRLJ-UHFFFAOYSA-N
InChI InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
IUPAC name 2,3,6-trichlorophenol, 2,3,6-tris(chloranyl)phenol
Molecular formula C6H3Cl3O
Molecular mass 197.448
Monoisotopic mass 195.924948
SMILES C1=CC(=C(C(=C1Cl)O)Cl)Cl, Oc1c(Cl)ccc(Cl)c1Cl

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
ece1b01d… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
8d41b058… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
007d9324… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
4f61cf89… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
2a76887d… EF 3.1 kg Environmental → Air → Unknown 2 2
bf0f8fcb… EF 3.1 kg Environmental → Air → Unknown 2 2
4a3650ca… EF 3.1 kg Environmental → Ground → Agricultural 2 2
29e7b903… EF 3.1 kg Environmental → Ground → Unknown 2 2
f4636f9e… EF 3.1 kg Environmental → Water → Ocean 2 2
edf2a7ca… EF 3.1 kg Environmental → Water → Surface water 2 2
b848d8d7… EF 3.1 kg Environmental → Water → Unknown 2 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
007d9324… altLabel — [{"@value":"Phenol, 2,3,6-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-75-5","https://commonchemistry.cas.org/detail?cas_rn=933-75-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=933-75-5; added Common Chemistry CAS names as altLabel: Phenol, 2,3,6-trichloro-; object_uuid=fo-b2549a778b62fa7b
007d9324… cas_match_labels — {"933-75-5":"exactMatch"} group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-75-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b2549a778b62fa7b: {'933-75-5': 'exactMatch'}
29e7b903… altLabel — [{"@value":"Phenol, 2,3,6-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-75-5","https://commonchemistry.cas.org/detail?cas_rn=933-75-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=933-75-5; added Common Chemistry CAS names as altLabel: Phenol, 2,3,6-trichloro-; object_uuid=fo-b2549a778b62fa7b
29e7b903… cas_match_labels — {"933-75-5":"exactMatch"} group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-75-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b2549a778b62fa7b: {'933-75-5': 'exactMatch'}
2a76887d… altLabel — [{"@value":"Phenol, 2,3,6-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-75-5","https://commonchemistry.cas.org/detail?cas_rn=933-75-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=933-75-5; added Common Chemistry CAS names as altLabel: Phenol, 2,3,6-trichloro-; object_uuid=fo-b2549a778b62fa7b
2a76887d… cas_match_labels — {"933-75-5":"exactMatch"} group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-75-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b2549a778b62fa7b: {'933-75-5': 'exactMatch'}
4a3650ca… altLabel — [{"@value":"Phenol, 2,3,6-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-75-5","https://commonchemistry.cas.org/detail?cas_rn=933-75-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=933-75-5; added Common Chemistry CAS names as altLabel: Phenol, 2,3,6-trichloro-; object_uuid=fo-b2549a778b62fa7b
4a3650ca… cas_match_labels — {"933-75-5":"exactMatch"} group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-75-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b2549a778b62fa7b: {'933-75-5': 'exactMatch'}
4f61cf89… altLabel — [{"@value":"Phenol, 2,3,6-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-75-5","https://commonchemistry.cas.org/detail?cas_rn=933-75-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=933-75-5; added Common Chemistry CAS names as altLabel: Phenol, 2,3,6-trichloro-; object_uuid=fo-b2549a778b62fa7b
4f61cf89… cas_match_labels — {"933-75-5":"exactMatch"} group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-75-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b2549a778b62fa7b: {'933-75-5': 'exactMatch'}
7769ab12… altLabel — [{"@value":"Phenol, 2,3,6-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-75-5","https://commonchemistry.cas.org/detail?cas_rn=933-75-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=933-75-5; added Common Chemistry CAS names as altLabel: Phenol, 2,3,6-trichloro-; object_uuid=fo-b2549a778b62fa7b
7769ab12… cas_match_labels — {"933-75-5":"exactMatch"} group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-75-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b2549a778b62fa7b: {'933-75-5': 'exactMatch'}
8d41b058… altLabel — [{"@value":"Phenol, 2,3,6-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-75-5","https://commonchemistry.cas.org/detail?cas_rn=933-75-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=933-75-5; added Common Chemistry CAS names as altLabel: Phenol, 2,3,6-trichloro-; object_uuid=fo-b2549a778b62fa7b
8d41b058… cas_match_labels — {"933-75-5":"exactMatch"} group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-75-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b2549a778b62fa7b: {'933-75-5': 'exactMatch'}
ad5822d7… altLabel — [{"@value":"Phenol, 2,3,6-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-75-5","https://commonchemistry.cas.org/detail?cas_rn=933-75-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=933-75-5; added Common Chemistry CAS names as altLabel: Phenol, 2,3,6-trichloro-; object_uuid=fo-b2549a778b62fa7b
ad5822d7… cas_match_labels — {"933-75-5":"exactMatch"} group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-75-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b2549a778b62fa7b: {'933-75-5': 'exactMatch'}
b848d8d7… altLabel — [{"@value":"Phenol, 2,3,6-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-75-5","https://commonchemistry.cas.org/detail?cas_rn=933-75-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=933-75-5; added Common Chemistry CAS names as altLabel: Phenol, 2,3,6-trichloro-; object_uuid=fo-b2549a778b62fa7b
b848d8d7… cas_match_labels — {"933-75-5":"exactMatch"} group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-75-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b2549a778b62fa7b: {'933-75-5': 'exactMatch'}
bf0f8fcb… altLabel — [{"@value":"Phenol, 2,3,6-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-75-5","https://commonchemistry.cas.org/detail?cas_rn=933-75-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=933-75-5; added Common Chemistry CAS names as altLabel: Phenol, 2,3,6-trichloro-; object_uuid=fo-b2549a778b62fa7b
bf0f8fcb… cas_match_labels — {"933-75-5":"exactMatch"} group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-75-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b2549a778b62fa7b: {'933-75-5': 'exactMatch'}
ece1b01d… altLabel — [{"@value":"Phenol, 2,3,6-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-75-5","https://commonchemistry.cas.org/detail?cas_rn=933-75-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=933-75-5; added Common Chemistry CAS names as altLabel: Phenol, 2,3,6-trichloro-; object_uuid=fo-b2549a778b62fa7b
ece1b01d… cas_match_labels — {"933-75-5":"exactMatch"} group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-75-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b2549a778b62fa7b: {'933-75-5': 'exactMatch'}
edf2a7ca… altLabel — [{"@value":"Phenol, 2,3,6-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-75-5","https://commonchemistry.cas.org/detail?cas_rn=933-75-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=933-75-5; added Common Chemistry CAS names as altLabel: Phenol, 2,3,6-trichloro-; object_uuid=fo-b2549a778b62fa7b
edf2a7ca… cas_match_labels — {"933-75-5":"exactMatch"} group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-75-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b2549a778b62fa7b: {'933-75-5': 'exactMatch'}
f4636f9e… altLabel — [{"@value":"Phenol, 2,3,6-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-75-5","https://commonchemistry.cas.org/detail?cas_rn=933-75-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=933-75-5; added Common Chemistry CAS names as altLabel: Phenol, 2,3,6-trichloro-; object_uuid=fo-b2549a778b62fa7b
f4636f9e… cas_match_labels — {"933-75-5":"exactMatch"} group_key=2,3,6-trichlorophenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-75-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b2549a778b62fa7b: {'933-75-5': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-b2549a778b62fa7b",
  "prefLabel": [
    {
      "@value": "2,3,6-trichlorophenol",
      "@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": [
    {
      "@value": "Phenol, 2,3,6-trichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H3Cl3O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=C(C(=C1Cl)O)Cl)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "XGCHAIDDPMFRLJ-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=C(C(=C1Cl)O)Cl)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC(=C(C(=C1Cl)O)Cl)Cl",
        "Oc1c(Cl)ccc(Cl)c1Cl"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
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          "prov:wasDerivedFrom": "pubchem.props.SMILES"
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        {
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            "C1=CC(=C(C(=C1Cl)O)Cl)Cl"
          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=C(C(=C1Cl)O)Cl)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H"
      ],
      "rdfs:label": "InChI",
      "provenance": [
        {
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          "prov:wasDerivedFrom": "pubchem.props.InChI"
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        {
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          "prov:hadPrimarySource": [
            "C1=CC(=C(C(=C1Cl)O)Cl)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2,3,6-trichlorophenol",
        "2,3,6-tris(chloranyl)phenol"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "197.448"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=C(C(=C1Cl)O)Cl)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=C(C(=C1Cl)O)Cl)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": [
        "195.924948"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=C(C(=C1Cl)O)Cl)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=C(C(=C1Cl)O)Cl)Cl"
          ]
        }
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.749C",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13618;CAS:933-75-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[933-75-5]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.012.065",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[933-75-5]"
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    },
    {
      "@id": "https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0590",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[933-75-5]"
      }
    },
    {
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