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Tetrachlorophthalic anhydride

UUID 52db801f-2d89-4b9f-882f-f74f54d03a4d
Flow Object IDfo-4d953611f1abbe48
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 117-08-8
EC Numbers 204-171-4
prefLabel ⓘ
Language Value Provenance
en Tetrachlorophthalic anhydride
altLabel ⓘ
Language Value Provenance
en 1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran
en 4,5,6,7-Tetrachloro-1,3-isobenzofurandione
en Tetrathal
en etrachlorophthalic acid anhydride
en 1,3-Isobenzofurandione, 4,5,6,7-tetrachloro-
en 3,4,5,6-Tetrachlorophthalic anhydride
en 4,5,6,7-Tetrachloroisobenzofuran-1,3-dione
en NSC 1484
en Niagathal
en Phthalic anhydride, tetrachloro-
en Tetrachlorophthalic acid anhydride
Definitions
Language Value Provenance
en A cyclic dicarboxylic anhydride that is phthalic anhydride chlorinated at the 4-, 5-, 6- and 7-positions.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey AUHHYELHRWCWEZ-UHFFFAOYSA-N
InChI InChI=1S/C8Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
IUPAC name 4,5,6,7-tetrachloro-2-benzofuran-1,3-dione, 4,5,6,7-tetrachloroisobenzofuran-1,3-dione, 4,5,6,7-tetrachlorophthalan-1,3-quinone, 4,5,6,7-tetrakis(chloranyl)-2-benzofuran-1,3-dione
Molecular formula C8Cl4O3
Molecular mass 285.897
Monoisotopic mass 283.86015
SMILES C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OC2=O, O=C1OC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 52db801f-2d89-4b9f-882f-f74f54d03a4d 4,5,6,7-tetrachloro-2-benzofuran-1,3-dione

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 4,5,6,7-tetrachloro-2-benzofuran-1,3-dione Emissions/Emissions to water/Emissions to fresh water kg exactMatch —

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=4,5,6,7-tetrachloro-2-benzofuran-1,3-dione||dimension=Environmental > media=Air > indoor=Unknown; cas=117-08-8; added Common Chemistry CAS names as altLabel: 1,3-Isobenzofurandione, 4,5,6,7-tetrachloro-, 3,4,5,6-Tetrachlorophthalic anhydride, 4,5,6,7-Tetrachloroisobenzofuran-1,3-dione, NSC 1484, Niagathal, Phthalic anhydride, tetrachloro-, Tetrachlorophthalic acid anhydride; object_uuid=fo-4d953611f1abbe48
cas_match_labels 1 — consensus_match group_key=4,5,6,7-tetrachloro-2-benzofuran-1,3-dione||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'117-08-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4d953611f1abbe48: {'117-08-8': 'exactMatch'}
prefLabel 1 — consensus_match cas=117-08-8; cc_chebi_agreed_name='Tetrachlorophthalic anhydride'; object_uuid=fo-4d953611f1abbe48

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '4,5,6,7-tetrachloro-2-benzofuran-1,3-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Tetrachlorophthalic anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:117-08-8'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=117-08-8; cc_chebi_agreed_name='Tetrachlorophthalic anhydride'; object_uuid=fo-4d953611f1abbe48
altLabel [{'@value': '1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran', 'http://purl.obolibrary.org/obo/CHEBI_59097', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4,5,6,7-Tetrachloro-1,3-isobenzofurandione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4,5,6,7-Tetrachloro-1,3-isobenzofurandione', 'http://purl.obolibrary.org/obo/CHEBI_59097', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Tetrathal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Tetrathal', 'http://purl.obolibrary.org/obo/CHEBI_59097', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'etrachlorophthalic acid anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:etrachlorophthalic acid anhydride', 'http://purl.obolibrary.org/obo/CHEBI_59097', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran', 'http://purl.obolibrary.org/obo/CHEBI_59097', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4,5,6,7-Tetrachloro-1,3-isobenzofurandione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4,5,6,7-Tetrachloro-1,3-isobenzofurandione', 'http://purl.obolibrary.org/obo/CHEBI_59097', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Tetrathal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Tetrathal', 'http://purl.obolibrary.org/obo/CHEBI_59097', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'etrachlorophthalic acid anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:etrachlorophthalic acid anhydride', 'http://purl.obolibrary.org/obo/CHEBI_59097', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4,5,6,7-tetrachloro-2-benzofuran-1,3-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=117-08-8; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-4d953611f1abbe48
altLabel [{'@value': '1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran', 'http://purl.obolibrary.org/obo/CHEBI_59097', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4,5,6,7-Tetrachloro-1,3-isobenzofurandione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4,5,6,7-Tetrachloro-1,3-isobenzofurandione', 'http://purl.obolibrary.org/obo/CHEBI_59097', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Tetrathal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Tetrathal', 'http://purl.obolibrary.org/obo/CHEBI_59097', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'etrachlorophthalic acid anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:etrachlorophthalic acid anhydride', 'http://purl.obolibrary.org/obo/CHEBI_59097', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4,5,6,7-tetrachloro-2-benzofuran-1,3-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': '1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran', 'http://purl.obolibrary.org/obo/CHEBI_59097', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4,5,6,7-Tetrachloro-1,3-isobenzofurandione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4,5,6,7-Tetrachloro-1,3-isobenzofurandione', 'http://purl.obolibrary.org/obo/CHEBI_59097', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Tetrathal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Tetrathal', 'http://purl.obolibrary.org/obo/CHEBI_59097', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'etrachlorophthalic acid anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:etrachlorophthalic acid anhydride', 'http://purl.obolibrary.org/obo/CHEBI_59097', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3-Isobenzofurandione, 4,5,6,7-tetrachloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:117-08-8', 'https://commonchemistry.cas.org/detail?cas_rn=117-08-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,4,5,6-Tetrachlorophthalic anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:117-08-8', 'https://commonchemistry.cas.org/detail?cas_rn=117-08-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,5,6,7-Tetrachloroisobenzofuran-1,3-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:117-08-8', 'https://commonchemistry.cas.org/detail?cas_rn=117-08-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 1484', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:117-08-8', 'https://commonchemistry.cas.org/detail?cas_rn=117-08-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Niagathal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:117-08-8', 'https://commonchemistry.cas.org/detail?cas_rn=117-08-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phthalic anhydride, tetrachloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:117-08-8', 'https://commonchemistry.cas.org/detail?cas_rn=117-08-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tetrachlorophthalic acid anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:117-08-8', 'https://commonchemistry.cas.org/detail?cas_rn=117-08-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=4,5,6,7-tetrachloro-2-benzofuran-1,3-dione||dimension=Environmental > media=Air > indoor=Unknown; cas=117-08-8; added Common Chemistry CAS names as altLabel: 1,3-Isobenzofurandione, 4,5,6,7-tetrachloro-, 3,4,5,6-Tetrachlorophthalic anhydride, 4,5,6,7-Tetrachloroisobenzofuran-1,3-dione, NSC 1484, Niagathal, Phthalic anhydride, tetrachloro-, Tetrachlorophthalic acid anhydride; object_uuid=fo-4d953611f1abbe48
cas_match_labels None {'117-08-8': 'exactMatch'} group_key=4,5,6,7-tetrachloro-2-benzofuran-1,3-dione||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'117-08-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4d953611f1abbe48: {'117-08-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "uuid": "52db801f-2d89-4b9f-882f-f74f54d03a4d",
  "name": null,
  "cas_numbers": [
    "117-08-8"
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  "ec_numbers": [
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  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Surface water"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 1026.4
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 8.0334e-7
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 8.0334e-7
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 1026.4
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  ],
  "source": "EF 3.1",
  "identifier": "52db801f-2d89-4b9f-882f-f74f54d03a4d",
  "input_datasets": [
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      "source_flow_name": "4,5,6,7-tetrachloro-2-benzofuran-1,3-dione",
      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to water",
          "Emissions to fresh water"
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      "rdfs:label": "Molecular formula",
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      "rdfs:label": "InChI",
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    "https://w3id.org/chemrof/formal_charge": {
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