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1,4-dichlorobut-2-ene

fo-a11ac6a951860658

Identity

Type
Neutral molecule
CAS
764-41-0
EC
212-121-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1,4-dichlorobut-2-ene

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FQDIANVAWVHZIR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2
IUPAC name chemrof:IUPAC_name 1,4-dichlorobut-2-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 ClCC=CCCl

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=764-41-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.019 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9027310 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182125 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15122 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2920 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q72465833 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,4-Dichlorobut-2-ene enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
48f0ed46-6d77-41c1-a7cb-69b208bc684e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
ac69a311-e9ca-42dc-a51d-1733e1c1a8d4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a2c3e80d-0b4b-4d54-8519-1c16cf703f5c Environmental → Air → Indoor EF 3.1 kg 2
d4daee9b-7c42-42f3-9591-be772bf36f2f Environmental → Air → Long-term EF 3.1 kg 0
2272d4f5-7ad9-45ad-a503-a65f514e0e83 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3eb595c3-5aea-4431-863c-c7b2b3caa886 Environmental → Air → Unknown EF 3.1 kg 2
e41d1a21-57e9-4ecc-a9ab-ad315bfcf5c6 Environmental → Ground → Agricultural EF 3.1 kg 2
b9ae77a3-5fff-4a4d-a6a7-a6c6179eba2e Environmental → Ground → Non-agricultural EF 3.1 kg 2
6dbbfb8a-9945-44b5-8f78-2e7509d6fd14 Environmental → Ground → Unknown EF 3.1 kg 2
db592e89-769d-423d-b2da-5dae1d2e3313 Environmental → Water → Long-term EF 3.1 kg 0
a3567610-7923-490a-82a4-d1b3dfcad381 Environmental → Water → Ocean EF 3.1 kg 2
6f785266-5dea-4917-ba76-71f651bf361f Environmental → Water → Surface water EF 3.1 kg 2
ebb75fc1-101b-48c5-94df-edd052979d1e Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-a11ac6a951860658",
  "prefLabel": [
    {
      "@value": "1,4-dichlorobut-2-ene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,4-Dichloro-2-butene",
      "@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=764-41-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Butene, 1,4-dichloro-",
      "@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=764-41-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C4H6Cl2"
      ],
      "attested_by": {
        "C4H6Cl2": [
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        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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          "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      ]
    },
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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": [
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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      },
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C=CCCl)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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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": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "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": "https://chem.echa.europa.eu/100.011.019",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
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        "prov:wasDerivedFrom": "pubchem.identifiers[764-41-0]"
      }
    },
    {
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "cas_numbers"
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    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID9027310",
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    },
    {
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "2272d4f5-7ad9-45ad-a503-a65f514e0e83",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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      }
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  },
  "classifications": {
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      "@value": [
        "764-41-0"
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=764-41-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      ],
      "provenance": {
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        "prov:wasDerivedFrom": "ec_numbers"
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    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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