← Back to consensus flows

Benzene, 1,3-dichloro-5-nitro-

UUID 690b4090-980d-4004-8d5f-9ea940969aac
Deprecated yes
Replaced By b42907e8-0898-4a95-a76c-cb85bd388c89
Flow Object IDfo-2f5acafc8358a4f1
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 618-62-2
EC Numbers 210-557-3
prefLabel
Language Value Provenance
en Benzene, 1,3-dichloro-5-nitro-
altLabel
Language Value Provenance
en 1,3-Dichloro-5-nitrobenzene
en 3,5-Dichloro-1-nitrobenzene
en NSC 53841
en NSC 60642
en 3,5-dichloronitrobenzene
References
Shared Properties
Predicate Value
InChIKey RNABGKOKSBUFHW-UHFFFAOYSA-N
InChI InChI=1S/C6H3Cl2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
IUPAC name 1,3-bis(chloranyl)-5-nitro-benzene, 1,3-dichloro-5-nitro-benzene, 1,3-dichloro-5-nitrobenzene
Molecular formula C6H3Cl2NO2
SMILES C1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 690b4090-980d-4004-8d5f-9ea940969aac 3,5-dichloronitrobenzene

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=3,5-dichloronitrobenzene||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=618-62-2; added Common Chemistry CAS names as altLabel: 1,3-Dichloro-5-nitrobenzene, 3,5-Dichloro-1-nitrobenzene, Benzene, 1,3-dichloro-5-nitro-, NSC 53841, NSC 60642; object_uuid=fo-2f5acafc8358a4f1
cas_match_labels 1 consensus_match group_key=3,5-dichloronitrobenzene||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'618-62-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2f5acafc8358a4f1: {'618-62-2': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,3-Dichloro-5-nitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:618-62-2', 'https://commonchemistry.cas.org/detail?cas_rn=618-62-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,5-Dichloro-1-nitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:618-62-2', 'https://commonchemistry.cas.org/detail?cas_rn=618-62-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzene, 1,3-dichloro-5-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:618-62-2', 'https://commonchemistry.cas.org/detail?cas_rn=618-62-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 53841', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:618-62-2', 'https://commonchemistry.cas.org/detail?cas_rn=618-62-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 60642', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:618-62-2', 'https://commonchemistry.cas.org/detail?cas_rn=618-62-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3,5-dichloronitrobenzene||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=618-62-2; added Common Chemistry CAS names as altLabel: 1,3-Dichloro-5-nitrobenzene, 3,5-Dichloro-1-nitrobenzene, Benzene, 1,3-dichloro-5-nitro-, NSC 53841, NSC 60642; object_uuid=fo-2f5acafc8358a4f1
cas_match_labels None {'618-62-2': 'exactMatch'} group_key=3,5-dichloronitrobenzene||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'618-62-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2f5acafc8358a4f1: {'618-62-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "690b4090-980d-4004-8d5f-9ea940969aac",
  "name": null,
  "cas_numbers": [
    "618-62-2"
  ],
  "ec_numbers": [
    "210-557-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "690b4090-980d-4004-8d5f-9ea940969aac",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "690b4090-980d-4004-8d5f-9ea940969aac",
      "source_flow_name": "3,5-dichloronitrobenzene",
      "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 water",
          "Emissions to water, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Benzene, 1,3-dichloro-5-nitro-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:618-62-2",
          "CID:12064"
        ],
        "prov:wasDerivedFrom": "pubchem record title"
      }
    }
  ],
  "_sources": {
    "prefLabel": "pubchem_readable_name",
    "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": "pubchem_readable_name",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H3Cl2NO2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12064"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "RNABGKOKSBUFHW-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12064"
        ],
        "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)[N+](=O)[O-]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12064"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C6H3Cl2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12064"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1,3-bis(chloranyl)-5-nitro-benzene",
        "1,3-dichloro-5-nitro-benzene",
        "1,3-dichloro-5-nitrobenzene"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12064"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.085K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12064;CAS:618-62-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[618-62-2]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.009.599",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12064;CAS:618-62-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[618-62-2]"
      }
    },
    {
      "@id": "https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0255",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12064;CAS:618-62-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[618-62-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=618-62-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12064;CAS:618-62-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[618-62-2]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID1060683",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12064;CAS:618-62-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[618-62-2]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=53841",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12064;CAS:618-62-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[618-62-2]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60642",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12064;CAS:618-62-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[618-62-2]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4VSD7Q7FUH",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12064;CAS:618-62-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[618-62-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/12064",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12064;CAS:618-62-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[618-62-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q2006789",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12064;CAS:618-62-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[618-62-2]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Dichloro-5-nitrobenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:618-62-2",
          "https://commonchemistry.cas.org/detail?cas_rn=618-62-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,5-Dichloro-1-nitrobenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:618-62-2",
          "https://commonchemistry.cas.org/detail?cas_rn=618-62-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NSC 53841",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:618-62-2",
          "https://commonchemistry.cas.org/detail?cas_rn=618-62-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NSC 60642",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:618-62-2",
          "https://commonchemistry.cas.org/detail?cas_rn=618-62-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,5-dichloronitrobenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "690b4090-980d-4004-8d5f-9ea940969aac"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "618-62-2": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:b42907e8-0898-4a95-a76c-cb85bd388c89",
  "is_replaced_by_uuid": "b42907e8-0898-4a95-a76c-cb85bd388c89",
  "flow_object_id": "fo-2f5acafc8358a4f1"
}