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Isophthalonitrile

UUID f3b5b1d4-f154-475a-b99d-3e10d483d278
Flow Object IDfo-882e54f63af04267
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 626-17-5
EC Numbers 210-933-7
prefLabel ⓘ
Language Value Provenance
en Isophthalonitrile
altLabel ⓘ
Language Value Provenance
en 1,3-Benzenedicarbonitrile
en 1,3-Dicyanobenzene
en 3-Cyanobenzonitrile
en IPN
en Isophthalodinitrile
en m-Dicyanobenzene
en 1,3-Benzodinitrile
en 1,3-Bis(cyano)benzene
en <em>m</em>-Benzenedinitrile
en <em>m</em>-Cyanobenzonitrile
en <em>m</em>-Dicyanobenzene
en Meta-dicyanobenzene
en NSC 87880
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey LAQPNDIUHRHNCV-UHFFFAOYSA-N
InChI InChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H
IUPAC name benzene-1,3-dicarbonitrile, isophthalonitrile
Molecular formula C8H4N2
Molecular mass 128.134
Monoisotopic mass 128.03745
SMILES C1=CC(=CC(=C1)C#N)C#N, N#Cc1cccc(C#N)c1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 f3b5b1d4-f154-475a-b99d-3e10d483d278 benzene-1,3-dicarbonitrile

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 benzene-1,3-dicarbonitrile 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 2 — consensus_match group_key=benzene-1,3-dicarbonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=626-17-5; added Common Chemistry CAS names as altLabel: 1,3-Benzodinitrile, 1,3-Bis(cyano)benzene, <em>m</em>-Benzenedinitrile, <em>m</em>-Cyanobenzonitrile, <em>m</em>-Dicyanobenzene, Meta-dicyanobenzene, NSC 87880; object_uuid=fo-882e54f63af04267
cas_match_labels 1 — consensus_match group_key=benzene-1,3-dicarbonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'626-17-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-882e54f63af04267: {'626-17-5': 'exactMatch'}
prefLabel 1 — consensus_match cas=626-17-5; cc_chebi_agreed_name='Isophthalonitrile'; object_uuid=fo-882e54f63af04267

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Benzene-1,3-dicarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Isophthalonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:626-17-5'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=626-17-5; cc_chebi_agreed_name='Isophthalonitrile'; object_uuid=fo-882e54f63af04267
altLabel [{'@value': '1,3-Benzenedicarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3-Benzenedicarbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3-Dicyanobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3-Dicyanobenzene', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-Cyanobenzonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Cyanobenzonitrile', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'IPN', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:IPN', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isophthalodinitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isophthalodinitrile', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'm-Dicyanobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:m-Dicyanobenzene', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1,3-Benzenedicarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3-Benzenedicarbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3-Dicyanobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3-Dicyanobenzene', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-Cyanobenzonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Cyanobenzonitrile', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'IPN', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:IPN', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isophthalodinitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isophthalodinitrile', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'm-Dicyanobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:m-Dicyanobenzene', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzene-1,3-dicarbonitrile', '@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=626-17-5; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-882e54f63af04267
altLabel [{'@value': '1,3-Benzenedicarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3-Benzenedicarbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3-Dicyanobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3-Dicyanobenzene', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-Cyanobenzonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Cyanobenzonitrile', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'IPN', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:IPN', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isophthalodinitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isophthalodinitrile', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'm-Dicyanobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:m-Dicyanobenzene', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzene-1,3-dicarbonitrile', '@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-Benzenedicarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3-Benzenedicarbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3-Dicyanobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3-Dicyanobenzene', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-Cyanobenzonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Cyanobenzonitrile', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'IPN', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:IPN', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isophthalodinitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isophthalodinitrile', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'm-Dicyanobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:m-Dicyanobenzene', 'http://purl.obolibrary.org/obo/CHEBI_38218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3-Benzodinitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:626-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=626-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Bis(cyano)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:626-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=626-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>m</em>-Benzenedinitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:626-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=626-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>m</em>-Cyanobenzonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:626-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=626-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>m</em>-Dicyanobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:626-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=626-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Meta-dicyanobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:626-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=626-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 87880', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:626-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=626-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=benzene-1,3-dicarbonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=626-17-5; added Common Chemistry CAS names as altLabel: 1,3-Benzodinitrile, 1,3-Bis(cyano)benzene, <em>m</em>-Benzenedinitrile, <em>m</em>-Cyanobenzonitrile, <em>m</em>-Dicyanobenzene, Meta-dicyanobenzene, NSC 87880; object_uuid=fo-882e54f63af04267
cas_match_labels None {'626-17-5': 'exactMatch'} group_key=benzene-1,3-dicarbonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'626-17-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-882e54f63af04267: {'626-17-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
  "cas_numbers": [
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    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "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": 574.22
    },
    {
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      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 574.22
    }
  ],
  "source": "EF 3.1",
  "identifier": "f3b5b1d4-f154-475a-b99d-3e10d483d278",
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      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to soil",
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  "prefLabel": [
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