Aryl Substituted Aryl Substituted Aryl Triazin

← Back to consensus flows

Aryl Substituted Aryl Substituted Aryl Triazin

UUID e40b5faf-a999-4fef-a735-80dd4b8f9cb6

Flow Object ID fo-2e50d3f4a72c6c19

Source EF 3.1

Context Environmental → Air → Ground level → Urban (>1000 people/square mile)

CAS Numbers 252285-60-2

EC Numbers 607-654-1

prefLabel

Language	Value	Provenance
`en`	`Aryl Substituted Aryl Substituted Aryl Triazin`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol`
`en`	`Phenol, 2-[4-(4-ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-`

References

Shared Properties

Predicate	Value
InChIKey	`PWWRPPKIWLDSIM-UHFFFAOYSA-N`
InChI	`InChI=1S/C23H19N3O2/c1-2-28-18-14-12-17(13-15-18)22-24-21(16-8-4-3-5-9-16)25-23(26-22)19-10-6-7-11-20(19)27/h3-15,27H,2H2,1H3`
IUPAC name	`2-(4-phenyl-6-p-phenetyl-s-triazin-2-yl)phenol, 2-[4-(4-ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol`
Molecular formula	`C23H19N3O2`
SMILES	`CCOC1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`e40b5faf-a999-4fef-a735-80dd4b8f9cb6`	aryl substituted aryl substituted aryl triazin

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	aryl substituted aryl substituted aryl triazin	Emissions/Emissions to air/Emissions to urban air close to ground	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=arylsubstitutedarylsubstitutedaryltriazin\|\|dimension=Environmental > media=Water > water_body=Surface water; cas=252285-60-2; added Common Chemistry CAS names as altLabel: 2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol, Phenol, 2-[4-(4-ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-; object_uuid=fo-2e50d3f4a72c6c19
`cas_match_labels`	1	`—`	consensus_match	group_key=arylsubstitutedarylsubstitutedaryltriazin\|\|dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'252285-60-2': []}; assigned CAS labels from group consensus; object_uuid=fo-2e50d3f4a72c6c19: {'252285-60-2': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Urban (>1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:252285-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=252285-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenol, 2-[4-(4-ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:252285-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=252285-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=arylsubstitutedarylsubstitutedaryltriazin\|\|dimension=Environmental > media=Water > water_body=Surface water; cas=252285-60-2; added Common Chemistry CAS names as altLabel: 2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol, Phenol, 2-[4-(4-ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-; object_uuid=fo-2e50d3f4a72c6c19
`cas_match_labels`	`None`	`{'252285-60-2': 'exactMatch'}`	group_key=arylsubstitutedarylsubstitutedaryltriazin\|\|dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'252285-60-2': []}; assigned CAS labels from group consensus; object_uuid=fo-2e50d3f4a72c6c19: {'252285-60-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "e40b5faf-a999-4fef-a735-80dd4b8f9cb6",
  "name": null,
  "cas_numbers": [
    "252285-60-2"
  ],
  "ec_numbers": [
    "607-654-1"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Urban (>1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "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": 1485.2
    },
    {
      "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": 2.1463e-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": 2.1463e-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": 1485.2
    }
  ],
  "source": "EF 3.1",
  "identifier": "e40b5faf-a999-4fef-a735-80dd4b8f9cb6",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "e40b5faf-a999-4fef-a735-80dd4b8f9cb6",
      "source_flow_name": "aryl substituted aryl substituted aryl triazin",
      "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 urban air close to ground"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Aryl Substituted Aryl Substituted Aryl Triazin",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C23H19N3O2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136146573"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "PWWRPPKIWLDSIM-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136146573"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCOC1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4O"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136146573"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C23H19N3O2/c1-2-28-18-14-12-17(13-15-18)22-24-21(16-8-4-3-5-9-16)25-23(26-22)19-10-6-7-11-20(19)27/h3-15,27H,2H2,1H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136146573"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2-(4-phenyl-6-p-phenetyl-s-triazin-2-yl)phenol",
        "2-[4-(4-ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136146573"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.971.527K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136146573;CAS:252285-60-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[252285-60-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=252285-60-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136146573;CAS:252285-60-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[252285-60-2]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID101044999",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136146573;CAS:252285-60-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[252285-60-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/136146573",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136146573;CAS:252285-60-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[252285-60-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q126606717",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136146573;CAS:252285-60-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[252285-60-2]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:252285-60-2",
          "https://commonchemistry.cas.org/detail?cas_rn=252285-60-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, 2-[4-(4-ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:252285-60-2",
          "https://commonchemistry.cas.org/detail?cas_rn=252285-60-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "252285-60-2": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/e40b5faf-a999-4fef-a735-80dd4b8f9cb6",
        "skos:prefLabel": "aryl substituted aryl substituted aryl triazin",
        "context": "Emissions/Emissions to air/Emissions to urban air close to ground",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/e40b5faf-a999-4fef-a735-80dd4b8f9cb6"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-2e50d3f4a72c6c19"
}