Consensus flow list

Identity

Type
Neutral molecule
CAS
33857-26-0
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,7-dichlorodibenzo-p-dioxin

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NBFMTHWVRBOVPE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H6Cl2O2/c13-7-1-3-9-11(5-7)16-10-4-2-8(14)6-12(10)15-9/h1-6H
IUPAC name chemrof:IUPAC_name 2,7-dichlorodibenzo-p-dioxin
Molecular formula chemrof:molecular_formula C12H6Cl2O2
Molecular mass chemrof:molecular_mass 253.084
Monoisotopic mass chemrof:monoisotopic_mass 251.974485
SMILES string chemrof:smiles_string Clc1ccc2c(c1)Oc1ccc(Cl)cc1O2

Known URLs

7

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=33857-26-0 enrich_references.consensus_cas_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1020435 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3KMT7J3HEQ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.853H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/36613 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27257427 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
926f1a0f-9ee7-494a-a76d-1e5a269def74 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
9f303150-2c9d-4a0b-bc9e-7d3c06b61335 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
5ee05b41-4ed4-4fd6-96a7-77b560bdcd57 Environmental → Air → Indoor EF 3.1 kg 0
c47bc9ea-7c64-4069-a692-0f12b42c62b1 Environmental → Air → Long-term EF 3.1 kg 0
32664050-3dd4-4711-ac70-188dbaba01a9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
3eb9c735-f143-4b84-bcf5-0c3dc79a0f76 Environmental → Air → Unknown EF 3.1 kg 0
85fc42c4-0be8-4dfe-909a-5ac0d6c89cb8 Environmental → Ground → Agricultural EF 3.1 kg 0
6e68a7bd-2510-4c30-89bf-0d337feb14a7 Environmental → Ground → Non-agricultural EF 3.1 kg 0
0523dee3-a1df-4cb6-ab77-3df53908f647 Environmental → Ground → Unknown EF 3.1 kg 0
dd8494ea-0460-4a3f-bb8a-1863510735b2 Environmental → Water → Long-term EF 3.1 kg 0
1cea75ab-002a-4201-8b0c-9b4ce8f11596 Environmental → Water → Ocean EF 3.1 kg 0
f2daf47c-b4d7-4ea1-bf4c-53aeb596c092 Environmental → Water → Surface water EF 3.1 kg 0
21ab48c0-9d9e-426d-a8a2-83e6edca8992 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-6b0a209b2301ef41",
  "prefLabel": [
    {
      "@value": "2,7-dichlorodibenzo-p-dioxin",
      "@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": "2,7-Dichlorodibenzo[b,e][1,4]dioxin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:33857-26-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=33857-26-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,7-Dichlorodibenzodioxin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:33857-26-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=33857-26-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,7-Dichlorodioxin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dibenzo-p-dioxin, 2,7-dichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dibenzo[b,e][1,4]dioxin, 2,7-dichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "PCDD 11",
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        ],
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      }
    }
  ],
  "properties": {
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        "C12H6Cl2O2"
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    },
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      ],
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2,7-dichlorodibenzo-p-dioxin"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
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      },
      "attested_by": {
        "2,7-dichlorodibenzo-p-dioxin": [
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC2=C(C=C1Cl)OC3=C(O2)C=C(C=C3)Cl"
          ]
        },
        {
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          "prov:hadPrimarySource": [
            "Clc1ccc2c(c1)Oc1ccc(Cl)cc1O2"
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        }
      ],
      "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": {
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        },
        {
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          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
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  },
  "references": [
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  "created_from": {
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  "parent_flow_object_id": null,
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  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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