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4-chlorobutyl 3-chloropropanoate

Flow Object IDfo-2dbeb74c01b6d71b
TypeConsensus
prefLabel
Label Language
4-chlorobutyl 3-chloropropanoate en
Alt Labels
Label Language Provenance
Propanoic acid, 3-chloro-, 4-chlorobutyl ester en —
Propionic acid, 3-chloro-, 4-chlorobutyl ester en —
CAS Numbers82530-64-1
EC Numbers617-343-2
Changes Applied26

Properties

Predicate Value
InChIKey GEXJJRFMEPZBNW-UHFFFAOYSA-N
InChI InChI=1S/C7H12Cl2O2/c8-4-1-2-6-11-7(10)3-5-9/h1-6H2
IUPAC name 3-chloropropanoic acid 4-chlorobutyl ester, 3-chloropropionic acid 4-chlorobutyl ester, 4-chloranylbutyl 3-chloranylpropanoate, 4-chlorobutyl 3-chloropropanoate
Molecular formula C7H12Cl2O2
SMILES C(CCCl)COC(=O)CCCl

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
5272359b… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
59971105… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
44dfa395… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
f1718e54… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
35980a52… EF 3.1 kg Environmental → Air → Unknown 2 2
f0fd21f7… EF 3.1 kg Environmental → Air → Unknown 2 2
6d37b3d8… EF 3.1 kg Environmental → Ground → Agricultural 2 2
7a8c9b92… EF 3.1 kg Environmental → Ground → Unknown 2 2
b77af57f… EF 3.1 kg Environmental → Water → Ocean 2 2
3cc11fc2… EF 3.1 kg Environmental → Water → Surface water 2 2
21d48b05… EF 3.1 kg Environmental → Water → Unknown 2 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
21d48b05… altLabel — [{"@value":"Propanoic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propionic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=82530-64-1; added Common Chemistry CAS names as altLabel: Propanoic acid, 3-chloro-, 4-chlorobutyl ester, Propionic acid, 3-chloro-, 4-chlorobutyl ester; object_uuid=fo-2dbeb74c01b6d71b
21d48b05… cas_match_labels — {"82530-64-1":"exactMatch"} group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'82530-64-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2dbeb74c01b6d71b: {'82530-64-1': 'exactMatch'}
35980a52… altLabel — [{"@value":"Propanoic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propionic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=82530-64-1; added Common Chemistry CAS names as altLabel: Propanoic acid, 3-chloro-, 4-chlorobutyl ester, Propionic acid, 3-chloro-, 4-chlorobutyl ester; object_uuid=fo-2dbeb74c01b6d71b
35980a52… cas_match_labels — {"82530-64-1":"exactMatch"} group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'82530-64-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2dbeb74c01b6d71b: {'82530-64-1': 'exactMatch'}
3cc11fc2… altLabel — [{"@value":"Propanoic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propionic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=82530-64-1; added Common Chemistry CAS names as altLabel: Propanoic acid, 3-chloro-, 4-chlorobutyl ester, Propionic acid, 3-chloro-, 4-chlorobutyl ester; object_uuid=fo-2dbeb74c01b6d71b
3cc11fc2… cas_match_labels — {"82530-64-1":"exactMatch"} group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'82530-64-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2dbeb74c01b6d71b: {'82530-64-1': 'exactMatch'}
44dfa395… altLabel — [{"@value":"Propanoic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propionic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=82530-64-1; added Common Chemistry CAS names as altLabel: Propanoic acid, 3-chloro-, 4-chlorobutyl ester, Propionic acid, 3-chloro-, 4-chlorobutyl ester; object_uuid=fo-2dbeb74c01b6d71b
44dfa395… cas_match_labels — {"82530-64-1":"exactMatch"} group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'82530-64-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2dbeb74c01b6d71b: {'82530-64-1': 'exactMatch'}
5272359b… altLabel — [{"@value":"Propanoic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propionic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=82530-64-1; added Common Chemistry CAS names as altLabel: Propanoic acid, 3-chloro-, 4-chlorobutyl ester, Propionic acid, 3-chloro-, 4-chlorobutyl ester; object_uuid=fo-2dbeb74c01b6d71b
5272359b… cas_match_labels — {"82530-64-1":"exactMatch"} group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'82530-64-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2dbeb74c01b6d71b: {'82530-64-1': 'exactMatch'}
59971105… altLabel — [{"@value":"Propanoic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propionic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=82530-64-1; added Common Chemistry CAS names as altLabel: Propanoic acid, 3-chloro-, 4-chlorobutyl ester, Propionic acid, 3-chloro-, 4-chlorobutyl ester; object_uuid=fo-2dbeb74c01b6d71b
59971105… cas_match_labels — {"82530-64-1":"exactMatch"} group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'82530-64-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2dbeb74c01b6d71b: {'82530-64-1': 'exactMatch'}
6d37b3d8… altLabel — [{"@value":"Propanoic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propionic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=82530-64-1; added Common Chemistry CAS names as altLabel: Propanoic acid, 3-chloro-, 4-chlorobutyl ester, Propionic acid, 3-chloro-, 4-chlorobutyl ester; object_uuid=fo-2dbeb74c01b6d71b
6d37b3d8… cas_match_labels — {"82530-64-1":"exactMatch"} group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'82530-64-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2dbeb74c01b6d71b: {'82530-64-1': 'exactMatch'}
7a8c9b92… altLabel — [{"@value":"Propanoic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propionic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=82530-64-1; added Common Chemistry CAS names as altLabel: Propanoic acid, 3-chloro-, 4-chlorobutyl ester, Propionic acid, 3-chloro-, 4-chlorobutyl ester; object_uuid=fo-2dbeb74c01b6d71b
7a8c9b92… cas_match_labels — {"82530-64-1":"exactMatch"} group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'82530-64-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2dbeb74c01b6d71b: {'82530-64-1': 'exactMatch'}
b77af57f… altLabel — [{"@value":"Propanoic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propionic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=82530-64-1; added Common Chemistry CAS names as altLabel: Propanoic acid, 3-chloro-, 4-chlorobutyl ester, Propionic acid, 3-chloro-, 4-chlorobutyl ester; object_uuid=fo-2dbeb74c01b6d71b
b77af57f… cas_match_labels — {"82530-64-1":"exactMatch"} group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'82530-64-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2dbeb74c01b6d71b: {'82530-64-1': 'exactMatch'}
c771a562… altLabel — [{"@value":"Propanoic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propionic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=82530-64-1; added Common Chemistry CAS names as altLabel: Propanoic acid, 3-chloro-, 4-chlorobutyl ester, Propionic acid, 3-chloro-, 4-chlorobutyl ester; object_uuid=fo-2dbeb74c01b6d71b
c771a562… cas_match_labels — {"82530-64-1":"exactMatch"} group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'82530-64-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2dbeb74c01b6d71b: {'82530-64-1': 'exactMatch'}
dad21604… altLabel — [{"@value":"Propanoic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propionic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=82530-64-1; added Common Chemistry CAS names as altLabel: Propanoic acid, 3-chloro-, 4-chlorobutyl ester, Propionic acid, 3-chloro-, 4-chlorobutyl ester; object_uuid=fo-2dbeb74c01b6d71b
dad21604… cas_match_labels — {"82530-64-1":"exactMatch"} group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'82530-64-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2dbeb74c01b6d71b: {'82530-64-1': 'exactMatch'}
f0fd21f7… altLabel — [{"@value":"Propanoic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propionic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=82530-64-1; added Common Chemistry CAS names as altLabel: Propanoic acid, 3-chloro-, 4-chlorobutyl ester, Propionic acid, 3-chloro-, 4-chlorobutyl ester; object_uuid=fo-2dbeb74c01b6d71b
f0fd21f7… cas_match_labels — {"82530-64-1":"exactMatch"} group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'82530-64-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2dbeb74c01b6d71b: {'82530-64-1': 'exactMatch'}
f1718e54… altLabel — [{"@value":"Propanoic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propionic acid, 3-chloro-, 4-chlorobutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:82530-64-1","https://commonchemistry.cas.org/detail?cas_rn=82530-64-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=82530-64-1; added Common Chemistry CAS names as altLabel: Propanoic acid, 3-chloro-, 4-chlorobutyl ester, Propionic acid, 3-chloro-, 4-chlorobutyl ester; object_uuid=fo-2dbeb74c01b6d71b
f1718e54… cas_match_labels — {"82530-64-1":"exactMatch"} group_key=4-chlorobutyl3-chloropropanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'82530-64-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2dbeb74c01b6d71b: {'82530-64-1': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-2dbeb74c01b6d71b",
  "prefLabel": [
    {
      "@value": "4-chlorobutyl 3-chloropropanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Propanoic acid, 3-chloro-, 4-chlorobutyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Propionic acid, 3-chloro-, 4-chlorobutyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H12Cl2O2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11275655"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GEXJJRFMEPZBNW-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C(CCCl)COC(=O)CCCl"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C7H12Cl2O2/c8-4-1-2-6-11-7(10)3-5-9/h1-6H2"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "3-chloropropanoic acid 4-chlorobutyl ester",
        "3-chloropropionic acid 4-chlorobutyl ester",
        "4-chloranylbutyl 3-chloranylpropanoate",
        "4-chlorobutyl 3-chloropropanoate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.130.679",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[82530-64-1]"
      }
    },
    {
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