Consensus flow list

Identity

Type
Neutral molecule
CAS
115-27-5
EC
204-077-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione

Alternative labels

17

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FLBJFXNAEMSXGL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H2Cl6O3/c10-3-4(11)8(13)2-1(5(16)18-6(2)17)7(3,12)9(8,14)15/h1-2H
IUPAC name chemrof:IUPAC_name 4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione
Molecular formula chemrof:molecular_formula C9H2Cl6O3
Molecular mass chemrof:molecular_mass 370.83
Monoisotopic mass chemrof:monoisotopic_mass 367.81351
SMILES string chemrof:smiles_string O=C1OC(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl

Known URLs

10

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=115-27-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.707 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1373 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2026941 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=22229 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183752 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.265E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8265 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=189645 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q55525465 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
628d2b52-c27f-4914-b43c-00aa73fd4697 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
11e278b6-820e-4da4-8ab6-8a9b3b3795cb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
faa52630-9df8-490a-b76b-8a8ff7d20ccb Environmental → Air → Indoor EF 3.1 kg 4
f38b5621-5cb1-45a5-87a5-70b6182e5598 Environmental → Air → Long-term EF 3.1 kg 0
9735308d-e2c3-46f0-bacb-c08cbfc6dd84 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d0b6729f-f1bc-47c4-b8a7-3916b769332d Environmental → Air → Unknown EF 3.1 kg 4
607cf9d1-ac5f-4261-8920-d07b55277616 Environmental → Ground → Agricultural EF 3.1 kg 4
d8b403fd-0e82-40bc-9e56-65f714068ea5 Environmental → Ground → Non-agricultural EF 3.1 kg 4
250035f5-6f9c-4f9b-9c5f-adcc1e77611c Environmental → Ground → Unknown EF 3.1 kg 4
02bd857e-b57e-40e7-a593-116dcb6efccb Environmental → Water → Long-term EF 3.1 kg 0
b5d566d8-7b18-475f-8007-f6e87e8d8e85 Environmental → Water → Ocean EF 3.1 kg 4
23115fb1-9cfe-4194-bcd3-5652277ee244 Environmental → Water → Surface water EF 3.1 kg 4
587322a0-5503-49b7-bb35-0858709467d2 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-0371b8e60a3af96f",
  "prefLabel": [
    {
      "@value": "4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione",
      "@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": "1,4,5,6,7,7-Hexachloro-5-bicyclo[2.2.1]heptene-2,3-dicarboxylic anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=115-27-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=115-27-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]-5-heptene-2,3-dicarboxylic acid anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3-Dicarboxy-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "3,4,5,6,7,7-Hexachloro-1,2,3,6-tetrahydro-3,6-endo-methylenephthalic anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=115-27-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,5,6,7,8,8-Hexachloro-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=115-27-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,7-Methanoisobenzofuran-1,3-dione, 4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=115-27-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Norbornene-2,3-dicarboxylic anhydride, 1,4,5,6,7,7-hexachloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, anhydride",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride, 1,4,5,6,7,7-hexachloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=115-27-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chlorendic anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=115-27-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "endo-1,4,5,6,7,7-Hexachloro-1,2,3,4-tetrahydro-5-norbornene-2,3-dicarboxylic acid anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=115-27-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "HET Anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=115-27-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexachloro-5-norbornene-2,3-dicarboxylic anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=115-27-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexachloroendomethylene tetrahydrophthalic anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=115-27-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Kayahard CLA",
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      "@lang": "en",
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        ],
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      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H2Cl6O3"
      ],
      "attested_by": {
        "C9H2Cl6O3": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C1OC(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FLBJFXNAEMSXGL-UHFFFAOYSA-N"
      ],
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      "rdfs:label": "InChIKey",
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          "prov:hadPrimarySource": [
            "O=C1OC(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=C1OC(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"
      ],
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      "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/C9H2Cl6O3/c10-3-4(11)8(13)2-1(5(16)18-6(2)17)7(3,12)9(8,14)15/h1-2H"
      ],
      "provenance": [
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        {
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      "attested_by": {
        "InChI=1S/C9H2Cl6O3/c10-3-4(11)8(13)2-1(5(16)18-6(2)17)7(3,12)9(8,14)15/h1-2H": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      "attested_by": {
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    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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          ]
        },
        {
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        }
      ],
      "attested_by": {
        "370.83": [
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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": {
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      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
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          ]
        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "367.81351": [
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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