← Back to consensus flows

3,4-dichlorobenzonitrile

UUID bfa70ff1-74b1-4426-8035-fef7683c7ad7
Flow Object IDfo-6241f9f0909b1dcb
Source EF 3.1
Context Environmental → Air → Ground level → Rural (<1000 people/square mile)
CAS Numbers 6574-99-8
EC Numbers 229-494-8
prefLabel
Language Value Provenance
en 3,4-dichlorobenzonitrile
altLabel
Language Value Provenance
en Benzonitrile, 3,4-dichloro-
References
Shared Properties
Predicate Value
InChIKey GVNSSGZFWJZSBJ-UHFFFAOYSA-N, KUWBYWUSERRVQP-UHFFFAOYSA-N
InChI InChI=1S/C7H3Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H, InChI=1S/C8H12N2S/c11-6-5-9-7-8-3-1-2-4-10-8/h1-4,9,11H,5-7H2
IUPAC name 2-(2-pyridinylmethylamino)ethanethiol, 2-(2-pyridylmethylamino)ethanethiol, 2-(pyridin-2-ylmethylamino)ethanethiol, 3,4-bis(chloranyl)benzenecarbonitrile, 3,4-dichlorobenzonitrile
Molecular formula C7H3Cl2N, C8H12N2S
SMILES C1=CC(=C(C=C1C#N)Cl)Cl, C1=CC=NC(=C1)CNCCS

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 bfa70ff1-74b1-4426-8035-fef7683c7ad7 3,4-dichlorobenzonitrile

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3,4-dichlorobenzonitrile Emissions/Emissions to air/Emissions to air, unspecified (long-term) 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=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=6574-99-8; added Common Chemistry CAS names as altLabel: Benzonitrile, 3,4-dichloro-; object_uuid=fo-6241f9f0909b1dcb
cas_match_labels 1 consensus_match group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6574-99-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6241f9f0909b1dcb: {'6574-99-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityRural (<1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Benzonitrile, 3,4-dichloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6574-99-8', 'https://commonchemistry.cas.org/detail?cas_rn=6574-99-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=6574-99-8; added Common Chemistry CAS names as altLabel: Benzonitrile, 3,4-dichloro-; object_uuid=fo-6241f9f0909b1dcb
cas_match_labels None {'6574-99-8': 'exactMatch'} group_key=3,4-dichlorobenzonitrile||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6574-99-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6241f9f0909b1dcb: {'6574-99-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "bfa70ff1-74b1-4426-8035-fef7683c7ad7",
  "name": null,
  "cas_numbers": [
    "6574-99-8"
  ],
  "ec_numbers": [
    "229-494-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Rural (<1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "bfa70ff1-74b1-4426-8035-fef7683c7ad7",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "bfa70ff1-74b1-4426-8035-fef7683c7ad7",
      "source_flow_name": "3,4-dichlorobenzonitrile",
      "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 (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "3,4-dichlorobenzonitrile",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "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-ru10pesq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H3Cl2N",
        "C8H12N2S"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:81051",
          "CID:259626"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GVNSSGZFWJZSBJ-UHFFFAOYSA-N",
        "KUWBYWUSERRVQP-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:81051",
          "CID:259626"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC(=C(C=C1C#N)Cl)Cl",
        "C1=CC=NC(=C1)CNCCS"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:81051",
          "CID:259626"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C7H3Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H",
        "InChI=1S/C8H12N2S/c11-6-5-9-7-8-3-1-2-4-10-8/h1-4,9,11H,5-7H2"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:81051",
          "CID:259626"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2-(2-pyridinylmethylamino)ethanethiol",
        "2-(2-pyridylmethylamino)ethanethiol",
        "2-(pyridin-2-ylmethylamino)ethanethiol",
        "3,4-bis(chloranyl)benzenecarbonitrile",
        "3,4-dichlorobenzonitrile"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:81051",
          "CID:259626"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J225.195G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:81051;CAS:6574-99-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6574-99-8]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J674.238F",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:259626;CAS:6574-99-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6574-99-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.026.814",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:81051;CAS:6574-99-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6574-99-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=6574-99-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "6574-99-8"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID50293460",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:259626;CAS:6574-99-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6574-99-8]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID90215944",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:81051;CAS:6574-99-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6574-99-8]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=89724",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:259626;CAS:6574-99-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6574-99-8]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E3NZ9X3XQZ",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:81051;CAS:6574-99-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6574-99-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/259626",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:259626;CAS:6574-99-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[6574-99-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/81051",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:81051;CAS:6574-99-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[6574-99-8]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4552204",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:259626;CAS:6574-99-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6574-99-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72465512",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:81051;CAS:6574-99-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6574-99-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82032196",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:259626;CAS:6574-99-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6574-99-8]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Benzonitrile, 3,4-dichloro-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6574-99-8",
          "https://commonchemistry.cas.org/detail?cas_rn=6574-99-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "6574-99-8": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/bfa70ff1-74b1-4426-8035-fef7683c7ad7",
        "skos:prefLabel": "3,4-dichlorobenzonitrile",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified (long-term)",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/bfa70ff1-74b1-4426-8035-fef7683c7ad7"
      },
      "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-6241f9f0909b1dcb"
}