3,4-dichlorotoluene

← Back to consensus flows

UUID da83a5d2-08c2-4385-9f4f-4fc8d81a9184

Flow Object ID fo-ee5c23b9f9ee2999

Source EF 3.1

Context Environmental → Water → Ocean

CAS Numbers 95-75-0

EC Numbers 202-447-9

prefLabel

Language	Value	Provenance
`en`	`3,4-dichlorotoluene`

altLabel ⓘ

Language	Value	Provenance
`en`	`1,2-Dichloro-4-methylbenzene`
`en`	`Benzene, 1,2-dichloro-4-methyl-`
`en`	`NSC 8765`
`en`	`Toluene, 3,4-dichloro-`

References

Shared Properties

Predicate	Value
InChIKey	`HGAVKWUHBLHFNP-UHFFFAOYSA-N, WYUIWKFIFOJVKW-UHFFFAOYSA-N`
InChI	`InChI=1S/C13H12O7S2.C4H10N2/c1-9-2-5-11(6-3-9)22(18,19)20-10-4-7-12(14)13(8-10)21(15,16)17;1-2-6-4-3-5-1/h2-8,14H,1H3,(H,15,16,17);5-6H,1-4H2, InChI=1S/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3`
IUPAC name	`1,2-bis(chloranyl)-4-methyl-benzene, 1,2-dichloro-4-methyl-benzene, 1,2-dichloro-4-methylbenzene, 2-hydroxy-5-(4-methylphenyl)sulfonyloxybenzenesulfonic acid;piperazine, 2-hydroxy-5-(p-tolylsulfonyloxy)benzenesulfonic acid;piperazine, 2-hydroxy-5-tosyloxy-besylic acid;piperazine, 5-(4-methylphenyl)sulfonyloxy-2-oxidanyl-benzenesulfonic acid;piperazine`
Molecular formula	`C17H22N2O7S2, C7H6Cl2`
SMILES	`CC1=CC(=C(C=C1)Cl)Cl, CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)O)S(=O)(=O)O.C1CNCCN1`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`da83a5d2-08c2-4385-9f4f-4fc8d81a9184`	3,4-dichlorotoluene

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	3,4-dichlorotoluene	Emissions/Emissions to water/Emissions to sea water	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-dichlorotoluene\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=95-75-0; added Common Chemistry CAS names as altLabel: 1,2-Dichloro-4-methylbenzene, Benzene, 1,2-dichloro-4-methyl-, NSC 8765, Toluene, 3,4-dichloro-; object_uuid=fo-ee5c23b9f9ee2999
`cas_match_labels`	1	`—`	consensus_match	group_key=3,4-dichlorotoluene\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'95-75-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ee5c23b9f9ee2999: {'95-75-0': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Ocean

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1,2-Dichloro-4-methylbenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:95-75-0', 'https://commonchemistry.cas.org/detail?cas_rn=95-75-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzene, 1,2-dichloro-4-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:95-75-0', 'https://commonchemistry.cas.org/detail?cas_rn=95-75-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 8765', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:95-75-0', 'https://commonchemistry.cas.org/detail?cas_rn=95-75-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Toluene, 3,4-dichloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:95-75-0', 'https://commonchemistry.cas.org/detail?cas_rn=95-75-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=3,4-dichlorotoluene\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=95-75-0; added Common Chemistry CAS names as altLabel: 1,2-Dichloro-4-methylbenzene, Benzene, 1,2-dichloro-4-methyl-, NSC 8765, Toluene, 3,4-dichloro-; object_uuid=fo-ee5c23b9f9ee2999
`cas_match_labels`	`None`	`{'95-75-0': 'exactMatch'}`	group_key=3,4-dichlorotoluene\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'95-75-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ee5c23b9f9ee2999: {'95-75-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "da83a5d2-08c2-4385-9f4f-4fc8d81a9184",
  "name": null,
  "cas_numbers": [
    "95-75-0"
  ],
  "ec_numbers": [
    "202-447-9"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Ocean"
  },
  "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": 0.6473
    },
    {
      "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": 0.6473
    }
  ],
  "source": "EF 3.1",
  "identifier": "da83a5d2-08c2-4385-9f4f-4fc8d81a9184",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "da83a5d2-08c2-4385-9f4f-4fc8d81a9184",
      "source_flow_name": "3,4-dichlorotoluene",
      "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 sea water"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "3,4-dichlorotoluene",
      "@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-wate-ocea",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C17H22N2O7S2",
        "C7H6Cl2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7256",
          "CID:162841"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "HGAVKWUHBLHFNP-UHFFFAOYSA-N",
        "WYUIWKFIFOJVKW-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7256",
          "CID:162841"
        ],
        "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)Cl",
        "CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)O)S(=O)(=O)O.C1CNCCN1"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7256",
          "CID:162841"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C13H12O7S2.C4H10N2/c1-9-2-5-11(6-3-9)22(18,19)20-10-4-7-12(14)13(8-10)21(15,16)17;1-2-6-4-3-5-1/h2-8,14H,1H3,(H,15,16,17);5-6H,1-4H2",
        "InChI=1S/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7256",
          "CID:162841"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1,2-bis(chloranyl)-4-methyl-benzene",
        "1,2-dichloro-4-methyl-benzene",
        "1,2-dichloro-4-methylbenzene",
        "2-hydroxy-5-(4-methylphenyl)sulfonyloxybenzenesulfonic acid;piperazine",
        "2-hydroxy-5-(p-tolylsulfonyloxy)benzenesulfonic acid;piperazine",
        "2-hydroxy-5-tosyloxy-besylic acid;piperazine",
        "5-(4-methylphenyl)sulfonyloxy-2-oxidanyl-benzenesulfonic acid;piperazine"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7256",
          "CID:162841"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.570J",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7256;CAS:95-75-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[95-75-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.002.226",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7256;CAS:95-75-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[95-75-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.055.386",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162841;CAS:95-75-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[95-75-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=57775-27-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162841;CAS:95-75-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[95-75-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=95-75-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "95-75-0"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID2021814",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7256;CAS:95-75-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[95-75-0]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID70973358",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162841;CAS:95-75-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[95-75-0]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8765",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7256;CAS:95-75-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[95-75-0]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/69PPS56Y93",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162841;CAS:95-75-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[95-75-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/162841",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162841;CAS:95-75-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[95-75-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/7256",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7256;CAS:95-75-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[95-75-0]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL47525",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7256;CAS:95-75-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[95-75-0]"
      }
    },
    {
      "@id": "https://www.kegg.jp/entry/D08551",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162841;CAS:95-75-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[95-75-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27264374",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162841;CAS:95-75-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[95-75-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72468405",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7256;CAS:95-75-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[95-75-0]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Dichloro-4-methylbenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:95-75-0",
          "https://commonchemistry.cas.org/detail?cas_rn=95-75-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1,2-dichloro-4-methyl-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:95-75-0",
          "https://commonchemistry.cas.org/detail?cas_rn=95-75-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NSC 8765",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:95-75-0",
          "https://commonchemistry.cas.org/detail?cas_rn=95-75-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Toluene, 3,4-dichloro-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:95-75-0",
          "https://commonchemistry.cas.org/detail?cas_rn=95-75-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "95-75-0": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/da83a5d2-08c2-4385-9f4f-4fc8d81a9184",
        "skos:prefLabel": "3,4-dichlorotoluene",
        "context": "Emissions/Emissions to water/Emissions to sea water",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/da83a5d2-08c2-4385-9f4f-4fc8d81a9184"
      },
      "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-ee5c23b9f9ee2999"
}