← Back to consensus flows

2,3,4,5-tetrachlorobenzoyl Chloride

UUID e8b7693d-36af-4618-a861-9668348448be
Deprecated yes
Replaced By 68a63e1a-9e5d-48b2-81a0-83299c7cb41f
Flow Object IDfo-b04116df67e1c286
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 42221-52-3
EC Numbers 406-760-3 , 609-997-2
prefLabel
Language Value Provenance
en 2,3,4,5-tetrachlorobenzoyl Chloride
altLabel
Language Value Provenance
en Benzoyl chloride, 2,3,4,5-tetrachloro-
References
Shared Properties
Predicate Value
InChIKey IROWIXYGGPOJFJ-UHFFFAOYSA-N
InChI InChI=1S/C7HCl5O/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H
IUPAC name 2,3,4,5-tetrachlorobenzoyl chloride, 2,3,4,5-tetrakis(chloranyl)benzoyl chloride
Molecular formula C7HCl5O
SMILES C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 e8b7693d-36af-4618-a861-9668348448be 2,3,4,5-tetrachlorobenzoyl chloride

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=2,3,4,5-tetrachlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Surface water; cas=42221-52-3; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 2,3,4,5-tetrachloro-; object_uuid=fo-b04116df67e1c286
cas_match_labels 1 consensus_match group_key=2,3,4,5-tetrachlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'42221-52-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b04116df67e1c286: {'42221-52-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Benzoyl chloride, 2,3,4,5-tetrachloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:42221-52-3', 'https://commonchemistry.cas.org/detail?cas_rn=42221-52-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2,3,4,5-tetrachlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Surface water; cas=42221-52-3; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 2,3,4,5-tetrachloro-; object_uuid=fo-b04116df67e1c286
cas_match_labels None {'42221-52-3': 'exactMatch'} group_key=2,3,4,5-tetrachlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'42221-52-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b04116df67e1c286: {'42221-52-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "e8b7693d-36af-4618-a861-9668348448be",
  "name": null,
  "cas_numbers": [
    "42221-52-3"
  ],
  "ec_numbers": [
    "609-997-2"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "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": 223.06
    },
    {
      "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": 223.06
    }
  ],
  "source": "EF 3.1",
  "identifier": "e8b7693d-36af-4618-a861-9668348448be",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "e8b7693d-36af-4618-a861-9668348448be",
      "source_flow_name": "2,3,4,5-tetrachlorobenzoyl 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 soil",
          "Emissions to agricultural soil"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "2,3,4,5-tetrachlorobenzoyl 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-grou-agri",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7HCl5O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5463797"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "IROWIXYGGPOJFJ-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5463797"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)Cl"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5463797"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C7HCl5O/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5463797"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2,3,4,5-tetrachlorobenzoyl chloride",
        "2,3,4,5-tetrakis(chloranyl)benzoyl chloride"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5463797"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J152.978A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5463797;CAS:42221-52-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[42221-52-3]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.100.832",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5463797;CAS:42221-52-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[42221-52-3]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.107.512",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5463797;CAS:42221-52-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[42221-52-3]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=42221-52-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5463797;CAS:42221-52-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[42221-52-3]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID00420183",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5463797;CAS:42221-52-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[42221-52-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/5463797",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5463797;CAS:42221-52-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[42221-52-3]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72504739",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5463797;CAS:42221-52-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[42221-52-3]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Benzoyl chloride, 2,3,4,5-tetrachloro-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:42221-52-3",
          "https://commonchemistry.cas.org/detail?cas_rn=42221-52-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "42221-52-3": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:68a63e1a-9e5d-48b2-81a0-83299c7cb41f",
  "is_replaced_by_uuid": "68a63e1a-9e5d-48b2-81a0-83299c7cb41f",
  "flow_object_id": "fo-b04116df67e1c286"
}