Consensus flow list

Identity

Type
Neutral molecule
CAS
56348-72-2
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3,3',4,4'-tetrachlorobiphenyl Ether

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DHLVZXZRIZBPKG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H6Cl4O/c13-9-3-1-7(5-11(9)15)17-8-2-4-10(14)12(16)6-8/h1-6H
IUPAC name chemrof:IUPAC_name 1,2-Dichloro-4-(3,4-dichlorophenoxy)benzene
Molecular formula chemrof:molecular_formula C12H6Cl4O
Molecular mass chemrof:molecular_mass 307.991
Monoisotopic mass chemrof:monoisotopic_mass 305.917276
SMILES string chemrof:smiles_string Clc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1Cl

Known URLs

6

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=56348-72-2 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20204886 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A45BVL7ZXD enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J151.749J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/41853 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27273606 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
435c8d4e-ee26-40ad-8c4c-237ee1ed36a6 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
34f112fc-7595-41fb-b79e-1c2c803bfa70 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3c4ca8a5-040e-455e-8188-cef601bed8e0 Environmental → Air → Indoor EF 3.1 kg 2
121e990f-27be-436c-8fce-dfc7305bb08f Environmental → Air → Long-term EF 3.1 kg 0
7a276b8c-5f06-4368-aa4e-857bf4d79381 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3475372a-145a-4ed6-b88a-1337c3b5686f Environmental → Air → Unknown EF 3.1 kg 2
1e2d4d5e-c7bd-4deb-9138-4f5ed57f3de2 Environmental → Ground → Agricultural EF 3.1 kg 2
32539ac9-0f1a-4c68-ad6a-b3bb30420783 Environmental → Ground → Non-agricultural EF 3.1 kg 2
3482b765-ee69-41a5-8c54-0635e80075b7 Environmental → Ground → Unknown EF 3.1 kg 2
819791d4-cafc-4fa0-ae1c-0e4cd8a6b8a7 Environmental → Water → Long-term EF 3.1 kg 0
cf149fa1-8ae1-417e-ba3c-170ebc12d3cc Environmental → Water → Ocean EF 3.1 kg 2
faa28872-7cb6-476f-a8d9-51d1eac25a52 Environmental → Water → Surface water EF 3.1 kg 2
ea12b43b-f537-4b62-92d6-129b423b684f Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-3dcf93be993ccd46",
  "prefLabel": [
    {
      "@value": "3,3',4,4'-tetrachlorobiphenyl Ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Dichloro-4-(3,4-dichlorophenoxy)benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56348-72-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56348-72-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3′,4,4′-Tetrachlorobiphenyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:56348-72-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56348-72-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3′,4,4′-Tetrachlorodiphenyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3′,4,4′-Tetrachlorophenyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,4,3′,4′-Tetrachlorodiphenyl ether",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1,1′-oxybis[3,4-dichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Benzene, 1,2-dichloro-4-(3,4-dichlorophenoxy)-",
      "@language": "en",
      "@lang": "en",
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      }
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  ],
  "properties": {
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        "C12H6Cl4O"
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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      "rdfs:label": "InChIKey",
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          "prov:hadPrimarySource": [
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          ]
        }
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      ],
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        },
        {
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          "prov:hadPrimarySource": [
            "Clc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1Cl"
          ]
        }
      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C12H6Cl4O/c13-9-3-1-7(5-11(9)15)17-8-2-4-10(14)12(16)6-8/h1-6H"
      ],
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
            "Clc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1Cl"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C12H6Cl4O/c13-9-3-1-7(5-11(9)15)17-8-2-4-10(14)12(16)6-8/h1-6H": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1,2-Dichloro-4-(3,4-dichlorophenoxy)benzene"
      ],
      "provenance": {
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        "prov:hadPrimarySource": [
          "1,2-Dichloro-4-(3,4-dichlorophenoxy)benzene"
        ]
      },
      "attested_by": {
        "1,2-Dichloro-4-(3,4-dichlorophenoxy)benzene": [
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      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=C(C=C1OC2=CC(=C(C=C2)Cl)Cl)Cl)Cl"
          ]
        },
        {
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          "prov:hadPrimarySource": [
            "Clc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1Cl"
          ]
        }
      ],
      "attested_by": {
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        ]
      },
      "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": [
        305.917276
      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=C(C=C1OC2=CC(=C(C=C2)Cl)Cl)Cl)Cl"
          ]
        },
        {
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          "prov:hadPrimarySource": [
            "Clc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1Cl"
          ]
        }
      ],
      "attested_by": {
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          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J151.749J",
      "provenance": {
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "121e990f-27be-436c-8fce-dfc7305bb08f",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "types": [
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  "classifications": {
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=56348-72-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      "provenance": {
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        "prov:wasDerivedFrom": "cas_numbers"
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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