Consensus flow list

Identity

Type
Neutral molecule
CAS
760-23-6
EC
212-079-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3,4-dichlorobut-1-ene

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XVEASTGLHPVZNA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H6Cl2/c1-2-4(6)3-5/h2,4H,1,3H2
IUPAC name chemrof:IUPAC_name 3,4-dichlorobut-1-ene
Molecular formula chemrof:molecular_formula C4H6Cl2
Molecular mass chemrof:molecular_mass 124.998
Monoisotopic mass chemrof:monoisotopic_mass 123.984656
SMILES string chemrof:smiles_string C=CC(Cl)CCl

Known URLs

8

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=760-23-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.981 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8022113 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182884 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IA19EYW12D enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.728K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12971 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27280624 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
42b32d2b-5ad3-43f1-93e1-563cec3429fc Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b3dded99-190d-4795-875c-2baebc91bcf0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c573865c-b300-4542-a25e-3e2face1e6aa Environmental → Air → Indoor EF 3.1 kg 4
a0530b4e-8142-43ae-8c30-c97301c831fb Environmental → Air → Long-term EF 3.1 kg 0
5764b3a0-d4c7-46d3-a562-4a7eda30876d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b4c57555-3953-446b-8e99-7ce6fa86010c Environmental → Air → Unknown EF 3.1 kg 4
f618b55a-9b4c-407c-97e8-e8ad2494dd71 Environmental → Ground → Agricultural EF 3.1 kg 4
afd07025-b48c-45aa-b6c7-e00891554c00 Environmental → Ground → Non-agricultural EF 3.1 kg 4
293c37c6-3c6a-4a1b-8c8d-75067877011f Environmental → Ground → Unknown EF 3.1 kg 4
8812740f-3144-41fc-bc55-fa4e46e53792 Environmental → Water → Long-term EF 3.1 kg 0
1870c9cc-7f42-40c8-94c9-b0bcac9b6bdf Environmental → Water → Ocean EF 3.1 kg 4
ede492bb-bf73-49a2-9067-99883c8e32bd Environmental → Water → Surface water EF 3.1 kg 4
1107db74-86d1-4c22-b237-38cb02eadd90 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-4a2a661617379b7c",
  "prefLabel": [
    {
      "@value": "3,4-dichlorobut-1-ene",
      "@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-3-butene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:760-23-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=760-23-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Butene, 3,4-dichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:760-23-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=760-23-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,4-Dichloro-1-butene",
      "@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=760-23-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C4H6Cl2"
      ],
      "attested_by": {
        "C4H6Cl2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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        "XVEASTGLHPVZNA-UHFFFAOYSA-N"
      ],
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      "rdfs:label": "InChIKey",
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        {
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          "prov:hadPrimarySource": [
            "3,4-dichlorobut-1-ene"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=CC(Cl)CCl"
          ]
        }
      ],
      "attested_by": {
        "C=CC(Cl)CCl": [
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C4H6Cl2/c1-2-4(6)3-5/h2,4H,1,3H2"
      ],
      "provenance": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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          ]
        }
      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "3,4-dichlorobut-1-ene"
      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "3,4-dichlorobut-1-ene": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        124.998
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=CC(CCl)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=CC(Cl)CCl"
          ]
        }
      ],
      "attested_by": {
        "124.998": [
          "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": [
        123.984656
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=CC(CCl)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=CC(Cl)CCl"
          ]
        }
      ],
      "attested_by": {
        "123.984656": [
          "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=J1.728K",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[760-23-6]"
      }
    },
    {
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "1107db74-86d1-4c22-b237-38cb02eadd90",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      "provenance": {
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  },
  "classifications": {
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      ],
      "rdfs:seeAlso": [
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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}

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