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Chlorendic Acid

UUID 4d9a8790-3ddd-11dd-96f2-0050c2490048
Flow Object IDfo-d2600a248b78223b
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 115-28-6
EC Numbers 204-078-9
prefLabel
Language Value Provenance
en Chlorendic Acid
altLabel ⓘ
Language Value Provenance
en 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid
en 1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)-5-heptene-2,3-dicarboxylic acid
en 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
en Hexachloro-endo-methylenetetrahydrophthalic acid
en 1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid
en 1,4,5,6,7,7-Hexachlorobicyclo-(2,2,1)hept-5-en-2,3-dicarboxylic acid
en 1,4,5,6,7,7-Hexachlorodicyclo-(2.2.1)-5-heptene-2,3-dicarboxylic acid
en 2<em>H</em>,3<em>H</em>-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
en 5-Norbornene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-
en Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-
en HET acid
en Hexachloroendomethylenetetrahydrophthalic acid
en NSC 22231
en NSC 41876
Definitions
Language Value Provenance
en A bridged organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with maleic anhydride followed by hydrolysis of the resulting anhydride. A chemical intermediate used in the preparation of fire-retardant polyester resins and plasticisers.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey DJKGDNKYTKCJKD-UHFFFAOYSA-N
InChI InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)
IUPAC name 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexakis(chloranyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
Molecular formula C9H4Cl6O4
Molecular mass 388.845
Monoisotopic mass 385.82407
SMILES C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O, O=C(O)C1C(C(=O)O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 4d9a8790-3ddd-11dd-96f2-0050c2490048 chlorendic acid

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 chlorendic acid Emissions/Emissions to soil/Emissions to agricultural soil kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=chlorendicacid||dimension=Environmental > media=Air > indoor=Unknown; cas=115-28-6; added Common Chemistry CAS names as altLabel: 1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid, 1,4,5,6,7,7-Hexachlorobicyclo-(2,2,1)hept-5-en-2,3-dicarboxylic acid, 1,4,5,6,7,7-Hexachlorodicyclo-(2.2.1)-5-heptene-2,3-dicarboxylic acid, 2<em>H</em>,3<em>H</em>-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 5-Norbornene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, HET acid, Hexachloroendomethylenetetrahydrophthalic acid, NSC 22231, NSC 41876; object_uuid=fo-d2600a248b78223b
cas_match_labels 1 — consensus_match group_key=chlorendicacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'115-28-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d2600a248b78223b: {'115-28-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_76603', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)-5-heptene-2,3-dicarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)-5-heptene-2,3-dicarboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_76603', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_76603', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Hexachloro-endo-methylenetetrahydrophthalic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Hexachloro-endo-methylenetetrahydrophthalic acid', 'http://purl.obolibrary.org/obo/CHEBI_76603', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_76603', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)-5-heptene-2,3-dicarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)-5-heptene-2,3-dicarboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_76603', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_76603', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Hexachloro-endo-methylenetetrahydrophthalic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Hexachloro-endo-methylenetetrahydrophthalic acid', 'http://purl.obolibrary.org/obo/CHEBI_76603', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-28-6', 'https://commonchemistry.cas.org/detail?cas_rn=115-28-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,4,5,6,7,7-Hexachlorobicyclo-(2,2,1)hept-5-en-2,3-dicarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-28-6', 'https://commonchemistry.cas.org/detail?cas_rn=115-28-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,4,5,6,7,7-Hexachlorodicyclo-(2.2.1)-5-heptene-2,3-dicarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-28-6', 'https://commonchemistry.cas.org/detail?cas_rn=115-28-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2<em>H</em>,3<em>H</em>-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-28-6', 'https://commonchemistry.cas.org/detail?cas_rn=115-28-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Norbornene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-28-6', 'https://commonchemistry.cas.org/detail?cas_rn=115-28-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-28-6', 'https://commonchemistry.cas.org/detail?cas_rn=115-28-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'HET acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-28-6', 'https://commonchemistry.cas.org/detail?cas_rn=115-28-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexachloroendomethylenetetrahydrophthalic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-28-6', 'https://commonchemistry.cas.org/detail?cas_rn=115-28-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 22231', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-28-6', 'https://commonchemistry.cas.org/detail?cas_rn=115-28-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 41876', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:115-28-6', 'https://commonchemistry.cas.org/detail?cas_rn=115-28-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=chlorendicacid||dimension=Environmental > media=Air > indoor=Unknown; cas=115-28-6; added Common Chemistry CAS names as altLabel: 1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid, 1,4,5,6,7,7-Hexachlorobicyclo-(2,2,1)hept-5-en-2,3-dicarboxylic acid, 1,4,5,6,7,7-Hexachlorodicyclo-(2.2.1)-5-heptene-2,3-dicarboxylic acid, 2<em>H</em>,3<em>H</em>-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 5-Norbornene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, HET acid, Hexachloroendomethylenetetrahydrophthalic acid, NSC 22231, NSC 41876; object_uuid=fo-d2600a248b78223b
cas_match_labels None {'115-28-6': 'exactMatch'} group_key=chlorendicacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'115-28-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d2600a248b78223b: {'115-28-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "4d9a8790-3ddd-11dd-96f2-0050c2490048",
  "name": null,
  "cas_numbers": [
    "115-28-6"
  ],
  "ec_numbers": [
    "204-078-9"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "2299222a-bbd8-474f-9d4f-4dd1f18aea7c",
      "name": "Human toxicity, cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 0.000011677
    },
    {
      "method_uuid": "503699e0-eca9-4089-8bf8-e0f49c93e578",
      "name": "Human toxicity, cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 0.000011677
    }
  ],
  "source": "EF 3.1",
  "identifier": "4d9a8790-3ddd-11dd-96f2-0050c2490048",
  "input_datasets": [
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  ],
  "source_refs": [
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      "source_flow_name": "chlorendic acid",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to soil",
          "Emissions to agricultural soil"
        ]
      }
    }
  ],
  "prefLabel": [
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      "@value": "Chlorendic Acid",
      "@language": "en",
      "source": {
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  "_sources": {
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    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
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    "unit_iri": "unit_normalization",
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    "skos:definition": "enrich_references",
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-agri",
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  "properties": {
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      "@value": [
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      "@id": "https://w3id.org/chemrof/formal_charge",
      "@value": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
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