Consensus flow list

Identity

Type
Neutral molecule
CAS
1746-01-6
EC
217-122-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2,3,7,8-tetrachlorodibenzo-p-dioxin

What it is used for

2

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI
persistent organic pollutant CHEBI:77853 Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains. ChEBI

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HGUFODBRKLSHSI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H
IUPAC name chemrof:IUPAC_name 2,3,7,8-tetrachlorodibenzo-p-dioxin
Molecular formula chemrof:molecular_formula C12H4Cl4O2
Molecular mass chemrof:molecular_mass 321.974
Monoisotopic mass chemrof:monoisotopic_mass 319.89654
SMILES string chemrof:smiles_string Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2

Known URLs

25

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
beilstein beilstein:271116 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1746-01-6 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/HP3567E0.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28119 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.015.566 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1467 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2021315 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=767477 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL30327 enrich_references.pubchem_identifier_url
gmelin gmelin:366537 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DO80M48B6O enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0258755 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.677C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07557 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07557 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-37232 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51589 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C864 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/D21FCSN83JM9 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15625 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2811 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=105033 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q52822 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,3,7,8-Tetrachlorodibenzo-P-Dioxin enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/2,3,7,8-Tetrachlorodibenzodioxin enrich_references.pubchem_identifier_url

Elementary flows

17
Flow Context Source Unit CFs
1f30d652-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-ab69-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
77d2a10a-f49d-4204-bbb1-79ef1901e2ee Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-ab68-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-ab6a-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-ab67-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-ab65-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
a6a47ff6b680845bfa86f199b8daef9828683f88 Environmental → Ground → Industrial ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-92f8-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
a72ace1b975cd92c87a5de13e32c4593a64241e4 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-ab66-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-92f6-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a4b6-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
56966e732ad7db12db79b2d98d662d331d06a82f Environmental → Water → River bafu algorithm addition kg 0
08a91e70-3ddc-11dd-92f5-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
7742901ca422f53bbdee6ed7735157cf6202b5d2 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-92f7-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-e82f82743b0aacbb",
  "prefLabel": [
    {
      "@value": "2,3,7,8-tetrachlorodibenzo-p-dioxin",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,3,7,8-TCDD",
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    },
    {
      "@value": "2,3,7,8-Tetrachloro-p-dioxin",
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        ],
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      }
    },
    {
      "@value": "2,3,7,8-Tetrachlorodibenzo-1,4-dioxin",
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    },
    {
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    {
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    {
      "@value": "2,3,7,8-tetrachlorooxanthrene",
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      "@lang": "en",
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      }
    },
    {
      "@value": "2378TCDD",
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      }
    },
    {
      "@value": "Dibenzo-p-dioxin, 2,3,7,8-tetrachloro-",
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      "@lang": "en",
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    },
    {
      "@value": "Dibenzo[b,e][1,4]dioxin, 2,3,7,8-tetrachloro-",
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      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dioxin (herbicide contaminant)",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "dioxine",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "PCDD 48",
      "@language": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "TCDBD",
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      }
    },
    {
      "@value": "TCDD",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Tetrachlorodibenzo-p-dioxin",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tetrachlorodibenzodioxin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "tetradioxin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_28119"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Dioxins, Measured As 2,3,7,8-tetrachlorodibenzo-p-dioxin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "source_flow_name"
      }
    },
    {
      "@value": "Dioxin, 2,3,7,8 Tetrachlorodibenzo-p-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H4Cl4O2"
      ],
      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
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    },
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      "rdfs:label": "SMILES",
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      "attested_by": {
        "InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H": [
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
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      "rdfs:label": "InChIKey",
      "provenance": [
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "@value": [
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      ],
      "attested_by": {
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      },
      "rdfs:label": "Molecular mass",
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        },
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          "prov:hadPrimarySource": [
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      ]
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      ],
      "attested_by": {
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      },
      "rdfs:label": "Monoisotopic mass",
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