Consensus flow list

Identity

Type
Neutral molecule
CAS
1653-19-6
EC
216-721-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 2,3-dichlorobuta-1,3-diene

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LIFLRQVHKGGNSG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H4Cl2/c1-3(5)4(2)6/h1-2H2
IUPAC name chemrof:IUPAC_name 2,3-dichlorobuta-1,3-diene
Molecular formula chemrof:molecular_formula C4H4Cl2
Molecular mass chemrof:molecular_mass 122.982
Monoisotopic mass chemrof:monoisotopic_mass 121.969005
SMILES string chemrof:smiles_string C=C(Cl)C(=C)Cl

Known URLs

9

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=1653-19-6 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25103-79-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.015.202 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1027423 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SG9RMT8EAJ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.960G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15447 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q26840785 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,3-Dichlorobutadiene enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d5c82f51-3077-4cb3-8e83-d037ddcc1261 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4e0b80ad-ee4f-43e7-b894-8261bb37c8b5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
efb723f3-55e1-424c-a93d-2698f38a9165 Environmental → Air → Indoor EF 3.1 kg 4
b9193670-d0c0-433f-98c1-a09fb4321593 Environmental → Air → Long-term EF 3.1 kg 0
6473560a-986e-431a-bde4-8b4ab9cdb94a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d9268475-6e41-47ad-894b-a0ab2438d0c8 Environmental → Air → Unknown EF 3.1 kg 4
d3373a12-5c19-46cb-ab2b-1b06d17cf630 Environmental → Ground → Agricultural EF 3.1 kg 4
f979aa4a-a9fe-4f85-8453-8fd872f4c126 Environmental → Ground → Non-agricultural EF 3.1 kg 4
dfdd4b25-a04b-46be-af60-407fcfbf3724 Environmental → Ground → Unknown EF 3.1 kg 4
272f842b-b4a4-4dbf-802e-b09099b5bbc4 Environmental → Water → Long-term EF 3.1 kg 0
6c3158c9-ffe6-4e01-84d9-3c0be031e640 Environmental → Water → Ocean EF 3.1 kg 4
045866eb-a83e-48ba-a97c-6c844f08e4a8 Environmental → Water → Surface water EF 3.1 kg 4
f1517a51-5ddc-41b2-9449-18d647265c7d Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-b639aeb76518fc20",
  "prefLabel": [
    {
      "@value": "2,3-dichlorobuta-1,3-diene",
      "@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": "1,3-Butadiene, 2,3-dichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1653-19-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1653-19-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3-Dichloro-1,3-butadiene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1653-19-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1653-19-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3-Dichlorobuta-1,3-diyne",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1653-19-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1653-19-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3-Dichlorobutadiene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1653-19-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1653-19-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3-Dichlorobutadiene-1,3",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1653-19-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1653-19-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dichlorobutadiene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1653-19-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1653-19-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C4H4Cl2"
      ],
      "attested_by": {
        "C4H4Cl2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:15447"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(Cl)C(=C)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "LIFLRQVHKGGNSG-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "LIFLRQVHKGGNSG-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:15447"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(Cl)C(=C)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "C=C(Cl)C(=C)Cl"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,3-dichlorobuta-1,3-diene"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(Cl)C(=C)Cl"
          ]
        }
      ],
      "attested_by": {
        "C=C(Cl)C(=C)Cl": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C4H4Cl2/c1-3(5)4(2)6/h1-2H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,3-dichlorobuta-1,3-diene"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(Cl)C(=C)Cl"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C4H4Cl2/c1-3(5)4(2)6/h1-2H2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2,3-dichlorobuta-1,3-diene"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2,3-dichlorobuta-1,3-diene"
        ]
      },
      "attested_by": {
        "2,3-dichlorobuta-1,3-diene": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        122.982
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(C(=C)Cl)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(Cl)C(=C)Cl"
          ]
        }
      ],
      "attested_by": {
        "122.982": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "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": [
        121.969005
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(C(=C)Cl)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(Cl)C(=C)Cl"
          ]
        }
      ],
      "attested_by": {
        "121.969005": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "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=J34.960G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15447;CAS:1653-19-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1653-19-6]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.015.202",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15447;CAS:1653-19-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1653-19-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=1653-19-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1653-19-6"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=25103-79-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15447;CAS:1653-19-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1653-19-6]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID1027423",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15447;CAS:1653-19-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1653-19-6]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/2,3-Dichlorobutadiene",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15447;CAS:1653-19-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1653-19-6]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SG9RMT8EAJ",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15447;CAS:1653-19-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1653-19-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/15447",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15447;CAS:1653-19-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[1653-19-6]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q26840785",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15447;CAS:1653-19-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1653-19-6]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "045866eb-a83e-48ba-a97c-6c844f08e4a8",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "1653-19-6"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=1653-19-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=1653-19-6"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "216-721-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=216-721-0"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.