sodium;benzene-1,4-diamine;methanolate;methyl 2,3,4,5-tetrachloro-6-cyanobenzoate

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sodium;benzene-1,4-diamine;methanolate;methyl 2,3,4,5-tetrachloro-6-cyanobenzoate

UUID c1460d74-40d8-477d-8239-7aad5a4000f2

Flow Object ID fo-393f513a04bd4795

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 106276-80-6

EC Numbers 600-736-8

prefLabel ⓘ

Language	Value	Provenance
`en`	`sodium;benzene-1,4-diamine;methanolate;methyl 2,3,4,5-tetrachloro-6-cyanobenzoate`

altLabel ⓘ

Language	Value	Provenance
`en`	`Benzoic acid, 2,3,4,5-tetrachloro-6-cyano-, methyl ester, reaction products with <em>p</em>-phenylenediamine and sodium methoxide`

References

Shared Properties

Predicate	Value
InChIKey	`CEQVQDVYGIXVPG-UHFFFAOYSA-N, QRFIXNBFUBOBTH-UHFFFAOYSA-N`
InChI	`InChI=1S/C22H6Cl8N4O2/c23-11-7-9(13(25)17(29)15(11)27)21(35)33-19(7)31-5-1-2-6(4-3-5)32-20-8-10(22(36)34-20)14(26)18(30)16(28)12(8)24/h1-4H,(H,31,33,35)(H,32,34,36), InChI=1S/C9H3Cl4NO2.C6H8N2.CH3O.Na/c1-16-9(15)4-3(2-14)5(10)7(12)8(13)6(4)11;7-5-1-2-6(8)4-3-5;1-2;/h1H3;1-4H,7-8H2;1H3;/q;;-1;+1`
IUPAC name	4,5,6,7-tetrachloro-3-[4-[(4,5,6,7-tetrachloro-3-keto-isoindolin-1-ylidene)amino]phenyl]imino-isoindolin-1-one, 4,5,6,7-tetrachloro-3-[4-[(4,5,6,7-tetrachloro-3-oxo-1-isoindolylidene)amino]phenyl]imino-1-isoindolone, 4,5,6,7-tetrachloro-3-[4-[(4,5,6,7-tetrachloro-3-oxo-isoindolin-1-ylidene)amino]phenyl]imino-isoindolin-1-one, 4,5,6,7-tetrachloro-3-[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one, 4,5,6,7-tetrakis(chloranyl)-3-[4-[[4,5,6,7-tetrakis(chloranyl)-3-oxidanylidene-isoindol-1-ylidene]amino]phenyl]imino-isoindol-1-one, sodium;benzene-1,4-diamine;methanolate;2,3,4,5-tetrachloro-6-cyanobenzoic acid methyl ester, sodium;benzene-1,4-diamine;methanolate;methyl 2,3,4,5-tetrachloro-6-cyano-benzoate, sodium;benzene-1,4-diamine;methanolate;methyl 2,3,4,5-tetrachloro-6-cyanobenzoate, sodium;benzene-1,4-diamine;methanolate;methyl 2,3,4,5-tetrakis(chloranyl)-6-cyano-benzoate, sodium;methanolate;p-phenylenediamine;2,3,4,5-tetrachloro-6-cyano-benzoic acid methyl ester
Molecular formula	`C16H14Cl4N3NaO3, C22H6Cl8N4O2`
SMILES	`C1=CC(=CC=C1N=C2C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)N2)N=C4C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)N4, C[O-].COC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C#N.C1=CC(=CC=C1N)N.[Na+]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`c1460d74-40d8-477d-8239-7aad5a4000f2`	mixture of octachloro, monomethoxy-heptachloro and bismethoxy-hexachloro derivatives of 3,3'-(1,4-phenylenedinitrilo)bis[2,3-dihydro-1h-isoindol-1-one]

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	mixture of octachloro, monomethoxy-heptachloro and bismethoxy-hexachloro derivatives of 3,3'-(1,4-phenylenedinitrilo)bis[2,3-dihydro-1h-isoindol-1-one]	Emissions/Emissions to air/Emissions to air, unspecified	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=mixtureofoctachloro,monomethoxy-heptachloroandbismethoxy-hexachloroderivativesof3,3'-(1,4-phenylenedinitrilo)bis[2,3-dihydro-1h-isoindol-1-one]\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=106276-80-6; added Common Chemistry CAS names as altLabel: Benzoic acid, 2,3,4,5-tetrachloro-6-cyano-, methyl ester, reaction products with <em>p</em>-phenylenediamine and sodium methoxide; object_uuid=fo-393f513a04bd4795
`cas_match_labels`	1	`—`	consensus_match	group_key=mixtureofoctachloro,monomethoxy-heptachloroandbismethoxy-hexachloroderivativesof3,3'-(1,4-phenylenedinitrilo)bis[2,3-dihydro-1h-isoindol-1-one]\|\|dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'106276-80-6': []}; assigned CAS labels from group consensus; object_uuid=fo-393f513a04bd4795: {'106276-80-6': 'exactMatch'}
`prefLabel`	1	`—`	consensus_match	group_key=mixtureofoctachloro,monomethoxy-heptachloroandbismethoxy-hexachloroderivativesof3,3'-(1,4-phenylenedinitrilo)bis[2,3-dihydro-1h-isoindol-1-one]\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=106276-80-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.2180; pubchem_entropy=4.1533; current_score=5.4680; pubchem_score=4.8333; score_improvement=0.6347; threshold=0.400; min_margin=0.400; object_uuid=fo-393f513a04bd4795

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`prefLabel`	`[{'@value': "Mixture Of Octachloro, Monomethoxy-heptachloro And Bismethoxy-hexachloro Derivatives Of 3,3'-(1,4-phenylenedinitrilo)bis[2,3-dihydro-1h-isoindol-1-one]", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}]`	`[{'@value': 'sodium;benzene-1,4-diamine;methanolate;methyl 2,3,4,5-tetrachloro-6-cyanobenzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106276-80-6', 'name:sodium;benzene-1,4-diamine;methanolate;methyl 2,3,4,5-tetrachloro-6-cyanobenzoate', 'https://pubchem.ncbi.nlm.nih.gov/compound/23674311'], 'prov:wasDerivedFrom': 'pubchem preferred label selection'}}]`	group_key=mixtureofoctachloro,monomethoxy-heptachloroandbismethoxy-hexachloroderivativesof3,3'-(1,4-phenylenedinitrilo)bis[2,3-dihydro-1h-isoindol-1-one]\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=106276-80-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.2180; pubchem_entropy=4.1533; current_score=5.4680; pubchem_score=4.8333; score_improvement=0.6347; threshold=0.400; min_margin=0.400; object_uuid=fo-393f513a04bd4795
`altLabel`	`None`	`[{'@value': "Mixture Of Octachloro, Monomethoxy-heptachloro And Bismethoxy-hexachloro Derivatives Of 3,3'-(1,4-phenylenedinitrilo)bis[2,3-dihydro-1h-isoindol-1-one]", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}]`	group_key=mixtureofoctachloro,monomethoxy-heptachloroandbismethoxy-hexachloroderivativesof3,3'-(1,4-phenylenedinitrilo)bis[2,3-dihydro-1h-isoindol-1-one]\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=106276-80-6; added current EF name as altLabel when prefLabel differs; object_uuid=fo-393f513a04bd4795
`altLabel`	`[{'@value': "Mixture Of Octachloro, Monomethoxy-heptachloro And Bismethoxy-hexachloro Derivatives Of 3,3'-(1,4-phenylenedinitrilo)bis[2,3-dihydro-1h-isoindol-1-one]", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}]`	`[{'@value': 'Benzoic acid, 2,3,4,5-tetrachloro-6-cyano-, methyl ester, reaction products with <em>p</em>-phenylenediamine and sodium methoxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106276-80-6', 'https://commonchemistry.cas.org/detail?cas_rn=106276-80-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]`	group_key=mixtureofoctachloro,monomethoxy-heptachloroandbismethoxy-hexachloroderivativesof3,3'-(1,4-phenylenedinitrilo)bis[2,3-dihydro-1h-isoindol-1-one]\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=106276-80-6; added Common Chemistry CAS names as altLabel: Benzoic acid, 2,3,4,5-tetrachloro-6-cyano-, methyl ester, reaction products with <em>p</em>-phenylenediamine and sodium methoxide; object_uuid=fo-393f513a04bd4795
`cas_match_labels`	`None`	`{'106276-80-6': 'exactMatch'}`	group_key=mixtureofoctachloro,monomethoxy-heptachloroandbismethoxy-hexachloroderivativesof3,3'-(1,4-phenylenedinitrilo)bis[2,3-dihydro-1h-isoindol-1-one]\|\|dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'106276-80-6': []}; assigned CAS labels from group consensus; object_uuid=fo-393f513a04bd4795: {'106276-80-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "c1460d74-40d8-477d-8239-7aad5a4000f2",
  "name": null,
  "cas_numbers": [
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  ],
  "ec_numbers": [
    "600-736-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 9.4359
    },
    {
      "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": 3.5666e-8
    },
    {
      "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": 3.5666e-8
    },
    {
      "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": 9.4359
    }
  ],
  "source": "EF 3.1",
  "identifier": "c1460d74-40d8-477d-8239-7aad5a4000f2",
  "input_datasets": [
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  "source_refs": [
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      "list_name": "EF",
      "list_version": "3.1",
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      "source_flow_name": "mixture of octachloro, monomethoxy-heptachloro and bismethoxy-hexachloro derivatives of 3,3'-(1,4-phenylenedinitrilo)bis[2,3-dihydro-1h-isoindol-1-one]",
      "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 air",
          "Emissions to air, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "sodium;benzene-1,4-diamine;methanolate;methyl 2,3,4,5-tetrachloro-6-cyanobenzoate",
      "@language": "en",
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  "_sources": {
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    "name": "bootstrap_labels",
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    "context": "default_context_mapping",
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    "unit_iri": "unit_normalization",
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  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
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        "C22H6Cl8N4O2"
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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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      "@value": [
        "CEQVQDVYGIXVPG-UHFFFAOYSA-N",
        "QRFIXNBFUBOBTH-UHFFFAOYSA-N"
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    },
    "https://w3id.org/chemrof/smiles_string": {
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        "C1=CC(=CC=C1N=C2C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)N2)N=C4C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)N4",
        "C[O-].COC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C#N.C1=CC(=CC=C1N)N.[Na+]"
      ],
      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
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        "InChI=1S/C9H3Cl4NO2.C6H8N2.CH3O.Na/c1-16-9(15)4-3(2-14)5(10)7(12)8(13)6(4)11;7-5-1-2-6(8)4-3-5;1-2;/h1H3;1-4H,7-8H2;1H3;/q;;-1;+1"
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      "@value": [
        "4,5,6,7-tetrachloro-3-[4-[(4,5,6,7-tetrachloro-3-keto-isoindolin-1-ylidene)amino]phenyl]imino-isoindolin-1-one",
        "4,5,6,7-tetrachloro-3-[4-[(4,5,6,7-tetrachloro-3-oxo-1-isoindolylidene)amino]phenyl]imino-1-isoindolone",
        "4,5,6,7-tetrachloro-3-[4-[(4,5,6,7-tetrachloro-3-oxo-isoindolin-1-ylidene)amino]phenyl]imino-isoindolin-1-one",
        "4,5,6,7-tetrachloro-3-[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one",
        "4,5,6,7-tetrakis(chloranyl)-3-[4-[[4,5,6,7-tetrakis(chloranyl)-3-oxidanylidene-isoindol-1-ylidene]amino]phenyl]imino-isoindol-1-one",
        "sodium;benzene-1,4-diamine;methanolate;2,3,4,5-tetrachloro-6-cyanobenzoic acid methyl ester",
        "sodium;benzene-1,4-diamine;methanolate;methyl 2,3,4,5-tetrachloro-6-cyano-benzoate",
        "sodium;benzene-1,4-diamine;methanolate;methyl 2,3,4,5-tetrachloro-6-cyanobenzoate",
        "sodium;benzene-1,4-diamine;methanolate;methyl 2,3,4,5-tetrakis(chloranyl)-6-cyano-benzoate",
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