← Back to consensus flows

2,4-dichlorobenzoyl Chloride

UUID c80aadd5-1f4b-4c9d-9b72-eb8581bc066b
Flow Object IDfo-634144194e339569
Source EF 3.1
Context Environmental → Air → Aircraft cruise height
CAS Numbers 89-75-8
EC Numbers 201-936-4
prefLabel
Language Value Provenance
en 2,4-dichlorobenzoyl Chloride
altLabel
Language Value Provenance
en <em>o</em>,<em>p</em>-Dichlorobenzoyl chloride
en Benzoyl chloride, 2,4-dichloro-
References
Shared Properties
Predicate Value
InChIKey CEOCVKWBUWKBKA-UHFFFAOYSA-N, VOGJJIQUEMRFQF-UHFFFAOYSA-N
InChI InChI=1S/C18H28N2O/c1-15-6-4-10-19(12-15)13-17(21)14-20-11-5-8-16-7-2-3-9-18(16)20/h2-3,7,9,15,17,21H,4-6,8,10-14H2,1H3, InChI=1S/C7H3Cl3O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H
IUPAC name 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3-methyl-1-piperidinyl)-2-propanol, 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3-methyl-1-piperidyl)propan-2-ol, 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3-methylpiperidin-1-yl)propan-2-ol, 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3-methylpiperidino)propan-2-ol, 2,4-bis(chloranyl)benzoyl chloride, 2,4-dichlorobenzoyl chloride
Molecular formula C18H28N2O, C7H3Cl3O
SMILES C1=CC(=C(C=C1Cl)Cl)C(=O)Cl, CC1CCCN(C1)CC(CN2CCCC3=CC=CC=C32)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 c80aadd5-1f4b-4c9d-9b72-eb8581bc066b 2,4-dichlorobenzoyl chloride

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2,4-dichlorobenzoyl chloride Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere 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=2,4-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; cas=89-75-8; added Common Chemistry CAS names as altLabel: <em>o</em>,<em>p</em>-Dichlorobenzoyl chloride, Benzoyl chloride, 2,4-dichloro-; object_uuid=fo-634144194e339569
cas_match_labels 1 consensus_match group_key=2,4-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'89-75-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-634144194e339569: {'89-75-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataAircraft cruise height

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '<em>o</em>,<em>p</em>-Dichlorobenzoyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-75-8', 'https://commonchemistry.cas.org/detail?cas_rn=89-75-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoyl chloride, 2,4-dichloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-75-8', 'https://commonchemistry.cas.org/detail?cas_rn=89-75-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2,4-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; cas=89-75-8; added Common Chemistry CAS names as altLabel: <em>o</em>,<em>p</em>-Dichlorobenzoyl chloride, Benzoyl chloride, 2,4-dichloro-; object_uuid=fo-634144194e339569
cas_match_labels None {'89-75-8': 'exactMatch'} group_key=2,4-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'89-75-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-634144194e339569: {'89-75-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "c80aadd5-1f4b-4c9d-9b72-eb8581bc066b",
  "name": null,
  "cas_numbers": [
    "89-75-8"
  ],
  "ec_numbers": [
    "201-936-4"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Aircraft cruise height"
  },
  "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": 7.9403
    },
    {
      "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": 7.9403
    }
  ],
  "source": "EF 3.1",
  "identifier": "c80aadd5-1f4b-4c9d-9b72-eb8581bc066b",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "c80aadd5-1f4b-4c9d-9b72-eb8581bc066b",
      "source_flow_name": "2,4-dichlorobenzoyl chloride",
      "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 lower stratosphere and upper troposphere"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "2,4-dichlorobenzoyl Chloride",
      "@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-aicrhe",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C18H28N2O",
        "C7H3Cl3O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66645",
          "CID:247530"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "CEOCVKWBUWKBKA-UHFFFAOYSA-N",
        "VOGJJIQUEMRFQF-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66645",
          "CID:247530"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC(=C(C=C1Cl)Cl)C(=O)Cl",
        "CC1CCCN(C1)CC(CN2CCCC3=CC=CC=C32)O"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66645",
          "CID:247530"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C18H28N2O/c1-15-6-4-10-19(12-15)13-17(21)14-20-11-5-8-16-7-2-3-9-18(16)20/h2-3,7,9,15,17,21H,4-6,8,10-14H2,1H3",
        "InChI=1S/C7H3Cl3O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66645",
          "CID:247530"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3-methyl-1-piperidinyl)-2-propanol",
        "1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3-methyl-1-piperidyl)propan-2-ol",
        "1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3-methylpiperidin-1-yl)propan-2-ol",
        "1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3-methylpiperidino)propan-2-ol",
        "2,4-bis(chloranyl)benzoyl chloride",
        "2,4-dichlorobenzoyl chloride"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66645",
          "CID:247530"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.173H",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66645;CAS:89-75-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-75-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.001.761",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66645;CAS:89-75-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-75-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=89-75-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "89-75-8"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID00289611",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:247530;CAS:89-75-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-75-8]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID2052603",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66645;CAS:89-75-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-75-8]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=62378",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:247530;CAS:89-75-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-75-8]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WWA3MW5SL5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66645;CAS:89-75-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-75-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/247530",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:247530;CAS:89-75-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[89-75-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/66645",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66645;CAS:89-75-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[89-75-8]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1985603",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:247530;CAS:89-75-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-75-8]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3561077",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66645;CAS:89-75-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-75-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72465578",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66645;CAS:89-75-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-75-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82026987",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:247530;CAS:89-75-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-75-8]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "<em>o</em>,<em>p</em>-Dichlorobenzoyl chloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-75-8",
          "https://commonchemistry.cas.org/detail?cas_rn=89-75-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoyl chloride, 2,4-dichloro-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-75-8",
          "https://commonchemistry.cas.org/detail?cas_rn=89-75-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "89-75-8": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/c80aadd5-1f4b-4c9d-9b72-eb8581bc066b",
        "skos:prefLabel": "2,4-dichlorobenzoyl chloride",
        "context": "Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/c80aadd5-1f4b-4c9d-9b72-eb8581bc066b"
      },
      "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-634144194e339569"
}