← Back to consensus flows

4-chloro-3-nitrotoluene

UUID df6fa67d-074f-4801-bac2-4f6bf2205439
Deprecated yes
Replaced By 50fdc990-fe6f-4836-9236-a3602680b819
Flow Object IDfo-a98f2f31b2064ee5
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 89-60-1
EC Numbers 201-922-8
prefLabel
Language Value Provenance
en 4-chloro-3-nitrotoluene
altLabel ⓘ
Language Value Provenance
en 1-Chloro-2-nitro-4-methylbenzene
en 1-Chloro-4-methyl-2-nitrobenzene
en 2-Chloro-5-methyl-1-nitrobenzene
en 2-Chloro-5-methylnitrobenzene
en 3-Nitro-4-chlorotoluene
en Benzene, 1-chloro-4-methyl-2-nitro-
en NSC 60721
en Toluene, 4-chloro-3-nitro-
References
Shared Properties
Predicate Value
InChIKey NWESJZZPAJGHRZ-UHFFFAOYSA-N
InChI InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
IUPAC name 1-chloranyl-4-methyl-2-nitro-benzene, 1-chloro-4-methyl-2-nitro-benzene, 1-chloro-4-methyl-2-nitrobenzene
Molecular formula C7H6ClNO2
SMILES CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 df6fa67d-074f-4801-bac2-4f6bf2205439 4-chloro-3-nitrotoluene

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=4-chloro-3-nitrotoluene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=89-60-1; added Common Chemistry CAS names as altLabel: 1-Chloro-2-nitro-4-methylbenzene, 1-Chloro-4-methyl-2-nitrobenzene, 2-Chloro-5-methyl-1-nitrobenzene, 2-Chloro-5-methylnitrobenzene, 3-Nitro-4-chlorotoluene, Benzene, 1-chloro-4-methyl-2-nitro-, NSC 60721, Toluene, 4-chloro-3-nitro-; object_uuid=fo-a98f2f31b2064ee5
cas_match_labels 1 — consensus_match group_key=4-chloro-3-nitrotoluene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'89-60-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a98f2f31b2064ee5: {'89-60-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1-Chloro-2-nitro-4-methylbenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-60-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-60-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Chloro-4-methyl-2-nitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-60-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-60-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Chloro-5-methyl-1-nitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-60-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-60-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Chloro-5-methylnitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-60-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-60-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Nitro-4-chlorotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-60-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-60-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzene, 1-chloro-4-methyl-2-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-60-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-60-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 60721', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-60-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-60-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Toluene, 4-chloro-3-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-60-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-60-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=4-chloro-3-nitrotoluene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=89-60-1; added Common Chemistry CAS names as altLabel: 1-Chloro-2-nitro-4-methylbenzene, 1-Chloro-4-methyl-2-nitrobenzene, 2-Chloro-5-methyl-1-nitrobenzene, 2-Chloro-5-methylnitrobenzene, 3-Nitro-4-chlorotoluene, Benzene, 1-chloro-4-methyl-2-nitro-, NSC 60721, Toluene, 4-chloro-3-nitro-; object_uuid=fo-a98f2f31b2064ee5
cas_match_labels None {'89-60-1': 'exactMatch'} group_key=4-chloro-3-nitrotoluene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'89-60-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a98f2f31b2064ee5: {'89-60-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "df6fa67d-074f-4801-bac2-4f6bf2205439",
  "name": null,
  "cas_numbers": [
    "89-60-1"
  ],
  "ec_numbers": [
    "201-922-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Unknown"
  },
  "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": 119.21
    },
    {
      "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": 119.21
    }
  ],
  "source": "EF 3.1",
  "identifier": "df6fa67d-074f-4801-bac2-4f6bf2205439",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "df6fa67d-074f-4801-bac2-4f6bf2205439",
      "source_flow_name": "4-chloro-3-nitrotoluene",
      "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 soil, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "4-chloro-3-nitrotoluene",
      "@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-grou-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": [
        "C7H6ClNO2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6976"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "NWESJZZPAJGHRZ-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6976"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6976"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6976"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1-chloranyl-4-methyl-2-nitro-benzene",
        "1-chloro-4-methyl-2-nitro-benzene",
        "1-chloro-4-methyl-2-nitrobenzene"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6976"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J141.344I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6976;CAS:89-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-60-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.001.748",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6976;CAS:89-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-60-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=89-60-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6976;CAS:89-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-60-1]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID9058995",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6976;CAS:89-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-60-1]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60721",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6976;CAS:89-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-60-1]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JF8MPL73NZ",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6976;CAS:89-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-60-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6976",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6976;CAS:89-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[89-60-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72456192",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6976;CAS:89-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-60-1]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Chloro-2-nitro-4-methylbenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-60-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Chloro-4-methyl-2-nitrobenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-60-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Chloro-5-methyl-1-nitrobenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-60-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Chloro-5-methylnitrobenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-60-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Nitro-4-chlorotoluene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-60-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1-chloro-4-methyl-2-nitro-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-60-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NSC 60721",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-60-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Toluene, 4-chloro-3-nitro-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-60-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "89-60-1": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:50fdc990-fe6f-4836-9236-a3602680b819",
  "is_replaced_by_uuid": "50fdc990-fe6f-4836-9236-a3602680b819",
  "flow_object_id": "fo-a98f2f31b2064ee5"
}