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Phthalonitrile

UUID 785f3844-ec49-48bd-a51b-1610dc8ec62b
Flow Object IDfo-fca0b7229137ae2d
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 91-15-6
EC Numbers 202-044-8
prefLabel
Language Value Provenance
en Phthalonitrile
altLabel ⓘ
Language Value Provenance
en 1,2-benzenedicarbonitrile
en 1,2-benzodinitrile
en 1,2-bis(cyano)benzene
en 1,2-dicyanobenzene
en benzene-1,2-dicarbonitrile
en o-benzenedicarbonitrile
en o-benzenedinitrile
en o-benzodinitrile
en o-cyanobenzonitrile
en o-dicyanobenzene
en phthalodinitrile
en <em>o</em>-Benzenedicarbonitrile
en <em>o</em>-Benzenedinitrile
en <em>o</em>-Benzodinitrile
en <em>o</em>-Cyanobenzonitrile
en <em>o</em>-Dicyanobenzene
en NSC 17562
Definitions
Language Value Provenance
en A dinitrile that is benzene which is substituted by cyano groups at positions 1 and 2.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey XQZYPMVTSDWCCE-UHFFFAOYSA-N
InChI InChI=1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H
IUPAC name benzene-1,2-dicarbonitrile, phthalonitrile
Molecular formula C8H4N2
Molecular mass 128.134
Monoisotopic mass 128.03745
SMILES C1=CC=C(C(=C1)C#N)C#N, N#Cc1ccccc1C#N

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 785f3844-ec49-48bd-a51b-1610dc8ec62b phthalonitrile

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 phthalonitrile 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 1 — consensus_match group_key=phthalonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=91-15-6; added Common Chemistry CAS names as altLabel: <em>o</em>-Benzenedicarbonitrile, <em>o</em>-Benzenedinitrile, <em>o</em>-Benzodinitrile, <em>o</em>-Cyanobenzonitrile, <em>o</em>-Dicyanobenzene, NSC 17562; object_uuid=fo-fca0b7229137ae2d
cas_match_labels 1 — consensus_match group_key=phthalonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'91-15-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fca0b7229137ae2d: {'91-15-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '1,2-benzenedicarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2-benzenedicarbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,2-benzodinitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2-benzodinitrile', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,2-bis(cyano)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2-bis(cyano)benzene', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,2-dicyanobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2-dicyanobenzene', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'benzene-1,2-dicarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:benzene-1,2-dicarbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'o-benzenedicarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:o-benzenedicarbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'o-benzenedinitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:o-benzenedinitrile', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'o-benzodinitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:o-benzodinitrile', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'o-cyanobenzonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:o-cyanobenzonitrile', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'o-dicyanobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:o-dicyanobenzene', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'phthalodinitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:phthalodinitrile', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1,2-benzenedicarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2-benzenedicarbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,2-benzodinitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2-benzodinitrile', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,2-bis(cyano)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2-bis(cyano)benzene', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,2-dicyanobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2-dicyanobenzene', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'benzene-1,2-dicarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:benzene-1,2-dicarbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'o-benzenedicarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:o-benzenedicarbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'o-benzenedinitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:o-benzenedinitrile', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'o-benzodinitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:o-benzodinitrile', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'o-cyanobenzonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:o-cyanobenzonitrile', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'o-dicyanobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:o-dicyanobenzene', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'phthalodinitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:phthalodinitrile', 'http://purl.obolibrary.org/obo/CHEBI_232056', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '<em>o</em>-Benzenedicarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-15-6', 'https://commonchemistry.cas.org/detail?cas_rn=91-15-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>o</em>-Benzenedinitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-15-6', 'https://commonchemistry.cas.org/detail?cas_rn=91-15-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>o</em>-Benzodinitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-15-6', 'https://commonchemistry.cas.org/detail?cas_rn=91-15-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>o</em>-Cyanobenzonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-15-6', 'https://commonchemistry.cas.org/detail?cas_rn=91-15-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>o</em>-Dicyanobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-15-6', 'https://commonchemistry.cas.org/detail?cas_rn=91-15-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 17562', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-15-6', 'https://commonchemistry.cas.org/detail?cas_rn=91-15-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=phthalonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=91-15-6; added Common Chemistry CAS names as altLabel: <em>o</em>-Benzenedicarbonitrile, <em>o</em>-Benzenedinitrile, <em>o</em>-Benzodinitrile, <em>o</em>-Cyanobenzonitrile, <em>o</em>-Dicyanobenzene, NSC 17562; object_uuid=fo-fca0b7229137ae2d
cas_match_labels None {'91-15-6': 'exactMatch'} group_key=phthalonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'91-15-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fca0b7229137ae2d: {'91-15-6': '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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  "ec_numbers": [
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  "context": {
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    "media": "Air",
    "strata": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "characterization_factor": 55.283
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    {
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      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 55.283
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  "source": "EF 3.1",
  "identifier": "785f3844-ec49-48bd-a51b-1610dc8ec62b",
  "input_datasets": [
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      "source_metadata": {
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        "original_context": [
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          "Emissions to air",
          "Emissions to air, unspecified"
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  "prefLabel": [
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  },
  "skos:definition": [
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