Consensus flow list

4-methyl-1,3-benzenediamine Dihydrochloride

fe0acd60-3ddc-11dd-ace3-0050c2490048

Identity

Substance
fo-4e03451790500c76 Molecular complex
Source
EF 3.1
Unit
kg
Context
Environmental → Water → Surface water
CAS
636-23-7
EC
—

Context

Dimension
Environmental
Media
Water
Water body
Surface water

Alternative labels

5

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 fe0acd60-3ddc-11dd-ace3-0050c2490048 4-methyl-1,3-benzenediamine dihydrochloride The consensus list is built from this one, so this row is the flow itself rather than something matched to it.

Concept associations

1
Source list Source flow Name there Compartment there Match Conversion
EF 3.1 fe0acd60-3ddc-11dd-ace3-0050c2490048 4-methyl-1,3-benzenediamine dihydrochloride Emissions/Emissions to water/Emissions to fresh water exactMatch —

Characterisation factors

4

Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.

Method Implementation Category Place Factor Published as
EF 3.1 European Commission — JRC Human toxicity, cancer — 2.9579e-05 —
EF 3.1 consensus-flow-list Human toxicity, cancer — 2.9579e-05 sole
EF 3.1 European Commission — JRC Human toxicity, cancer_organics — 2.9579e-05 —
EF 3.1 consensus-flow-list Human toxicity, cancer_organics — 2.9579e-05 sole

This flow in the difference report

History

The change log and the PROV-O trail (2 consensus changes)

Open the changes page

These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.

Full record

Flow JSON 
{
  "altLabel": [
    {
      "@value": "1,3-Benzenediamine, 4-methyl-, dihydrochloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:636-23-7",
          "https://commonchemistry.cas.org/detail?cas_rn=636-23-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Benzenediamine, 4-methyl-, hydrochloride (1:2)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:636-23-7",
          "https://commonchemistry.cas.org/detail?cas_rn=636-23-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4-Diaminotoluene dihydrochloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:636-23-7",
          "https://commonchemistry.cas.org/detail?cas_rn=636-23-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4-Tolylenediamine dihydrochloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:636-23-7",
          "https://commonchemistry.cas.org/detail?cas_rn=636-23-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Toluene-2,4-diamine, dihydrochloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:636-23-7",
          "https://commonchemistry.cas.org/detail?cas_rn=636-23-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H12Cl2N2"
      ],
      "attested_by": {
        "C7H12Cl2N2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:71557"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1ccc(N)cc1N.Cl.Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FSSFFQIVJQERFY-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "FSSFFQIVJQERFY-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:71557"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1ccc(N)cc1N.Cl.Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Cc1ccc(N)cc1N.Cl.Cl"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "4-methyl-1,3-benzenediamine Dihydrochloride"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1ccc(N)cc1N.Cl.Cl"
          ]
        }
      ],
      "attested_by": {
        "Cc1ccc(N)cc1N.Cl.Cl": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C7H10N2.2ClH/c1-5-2-3-6(8)4-7(5)9;;/h2-4H,8-9H2,1H3;2*1H"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "4-methyl-1,3-benzenediamine Dihydrochloride"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1ccc(N)cc1N.Cl.Cl"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C7H10N2.2ClH/c1-5-2-3-6(8)4-7(5)9;;/h2-4H,8-9H2,1H3;2*1H": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "4-methyl-1,3-benzenediamine Dihydrochloride"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "4-methyl-1,3-benzenediamine Dihydrochloride"
        ]
      },
      "attested_by": {
        "4-methyl-1,3-benzenediamine Dihydrochloride": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        195.093
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=C(C=C(C=C1)N)N.Cl.Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1ccc(N)cc1N.Cl.Cl"
          ]
        }
      ],
      "attested_by": {
        "195.093": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        194.037754
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=C(C=C(C=C1)N)N.Cl.Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1ccc(N)cc1N.Cl.Cl"
          ]
        }
      ],
      "attested_by": {
        "194.037754": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=636-23-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "636-23-7"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID9020403",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:71557;CAS:636-23-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[636-23-7]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/333A82EQ74",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:71557;CAS:636-23-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[636-23-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/71557",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:71557;CAS:636-23-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[636-23-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q81983609",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:71557;CAS:636-23-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[636-23-7]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "4-methyl-1,3-benzenediamine Dihydrochloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/MolecularComplex"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "fe0acd60-3ddc-11dd-ace3-0050c2490048",
  "identifier": "fe0acd60-3ddc-11dd-ace3-0050c2490048",
  "source": "EF 3.1",
  "cas_numbers": [
    "636-23-7"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Surface water"
  },
  "synonyms": [],
  "lcia_methods": [
    {
      "method_uuid": "2299222a-bbd8-474f-9d4f-4dd1f18aea7c",
      "name": "Human toxicity, cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 0.000029579
    },
    {
      "method_uuid": "503699e0-eca9-4089-8bf8-e0f49c93e578",
      "name": "Human toxicity, cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 0.000029579
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-suwa",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-4e03451790500c76",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-11dd-ace3-0050c2490048",
        "skos:prefLabel": "4-methyl-1,3-benzenediamine dihydrochloride",
        "context": "Emissions/Emissions to water/Emissions to fresh water",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/fe0acd60-3ddc-11dd-ace3-0050c2490048"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/fe0acd60-3ddc-11dd-ace3-0050c2490048"
      },
      "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"
        ]
      }
    }
  ],
  "_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": "normalise_property_values",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "636-23-7": "exactMatch"
  },
  "general_comment": "Correct mapping CAS and flow to be verified: yet unclear whether this is the sodium-, hydrochloride-, calcium-, potassium- or other salt or the pure substance that is emitted. Note that the CAS No is the relevant identifier, to which also the ILCD LCIA characterisation factors relate. Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
  "_transformed": true,
  "_provided": {
    "name": "4-methyl-1,3-benzenediamine dihydrochloride",
    "synonyms": [
      "1,3-Benzenediamine, 4-methyl-",
      "1,3-Benzenediamine, 4-methyl-, labeled with tritium",
      "1,3-Diamino-4-methylbenzene",
      "1-Methyl-2,4-phenylenediamine",
      "2,4-DAT",
      "2,4-DIAMINOTOLUENE (2,4-TOLUENE DIAMINE) (SEE ALSO TRANSGENIC MODEL EVALUATION (2,4-DIAMINOTOLUENE))",
      "2,4-Diamino-1-methylbenzene",
      "2,4-Diamino-1-toluene",
      "2,4-Diaminotoluen",
      "2,4-Diaminotoluene",
      "2,4-Diaminotoluene (2,4-toluene diamine)",
      "2,4-Diaminotoluol",
      "2,4-Tolamine",
      "2,4-Toluene diamine",
      "2,4-Toluenediamine",
      "2,4-diaminotoluene, 3H-labeled",
      "2,4-diaminotoluene, dihydrochloride",
      "2,4-diaminotoluene, monohydrochloride",
      "3-Amino-p-toluidine",
      "3-amino-p-tolui dine",
      "4-Methyl-1,3-benzenediamine",
      "4-Methyl-1,3-benzenediamine labeled with tritium",
      "4-Methyl-1,3-phenylenediamine",
      "4-Methyl-m-phenylenediamine",
      "4-Methylphenylene-1,3-diamine",
      "4-m-Tolylenediamine",
      "4-methylbenzene-1,3-diamine",
      "5-Amino-o-toluidine",
      "AC-14889",
      "AC1L1ODD",
      "AC1Q2FK0",
      "AKOS000119800",
      "ARONIS008340",
      "Azogen developer H",
      "BB_SC-7051",
      "Benzofur MT",
      "Brown for Fur T",
      "C.I. 76035",
      "C.I. Oxidation Base",
      "C.I. Oxidation Base 35",
      "C.I. Oxidation base 20",
      "C.I. Oxidation base 200",
      "C.I. oxidation ba se",
      "CI Oxidation Base 35",
      "Developer 14",
      "Developer B",
      "Developer DB",
      "Developer DBJ",
      "Developer MC",
      "Developer MT",
      "Developer MT-CF",
      "Developer T",
      "Developer mtd",
      "Diaminotoluene, 2,4-",
      "Eucanine GB",
      "Fouramine",
      "Fouramine J",
      "Fourrine 94",
      "Fourrine M",
      "NCI-C02302",
      "NCI-C023O2",
      "Nako TMT",
      "Pelagol Grey J",
      "Pelagol J",
      "Pontamine Developer TN",
      "Renal MD",
      "S01-0308",
      "SMR000673562",
      "TOLUENE-2,4-DIAMINE",
      "TRANSGENIC MODEL EVALUATION (2,4-DIAMINOTOLUENE)",
      "Tertral G",
      "Toluenediamine, o-",
      "Toluenes (2,4-diaminotoluene, p-nitrotoluene, 4-chloro-o-phenylenediamine",
      "Tolylene-2,4-diamine",
      "Zoba GKE",
      "Zogen developer H",
      "m-Toluenediamine",
      "m-Toluylendiamin",
      "m-Tolylenediamine",
      "meta-Tolylenediamine",
      "pontamine developer tn"
    ],
    "context": [
      "Emissions",
      "Emissions to water",
      "Emissions to fresh water"
    ],
    "cas_numbers": [
      "636-23-7"
    ],
    "ec_numbers": [],
    "unit": "kg"
  }
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.