Consensus flow list

Identity

Substance
fo-1728d9aa23ddbc60 Molecular complex
Source
EF 3.1
Unit
kg
Context
Environmental → Air → Long-term
CAS
13552-44-8
EC
236-934-2

Context

Dimension
Environmental
Media
Air
Strata
Long-term

Alternative labels

6

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 08a91e70-3ddc-11dd-9adb-0050c2490048 4,4'-methylenebisbenzenamine 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 08a91e70-3ddc-11dd-9adb-0050c2490048 4,4'-methylenebisbenzenamine dihydrochloride Emissions/Emissions to air/Emissions to air, unspecified (long-term) 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 0
EF 3.1 consensus-flow-list Human toxicity, cancer 0 sole
EF 3.1 European Commission — JRC Human toxicity, cancer_organics 0
EF 3.1 consensus-flow-list Human toxicity, cancer_organics 0 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": "4,4′-Diaminodiphenylmethane dihydrochloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13552-44-8",
          "https://commonchemistry.cas.org/detail?cas_rn=13552-44-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Methylenedianiline dihydrochloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13552-44-8",
          "https://commonchemistry.cas.org/detail?cas_rn=13552-44-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p,p′-Methylenedianiline dihydrochloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13552-44-8",
          "https://commonchemistry.cas.org/detail?cas_rn=13552-44-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aniline, 4,4′-methylenedi-, dihydrochloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13552-44-8",
          "https://commonchemistry.cas.org/detail?cas_rn=13552-44-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenamine, 4,4′-methylenebis-, dihydrochloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13552-44-8",
          "https://commonchemistry.cas.org/detail?cas_rn=13552-44-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenamine, 4,4′-methylenebis-, hydrochloride (1:2)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13552-44-8",
          "https://commonchemistry.cas.org/detail?cas_rn=13552-44-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C13H16Cl2N2"
      ],
      "attested_by": {
        "C13H16Cl2N2": [
          "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:26108"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.Nc1ccc(Cc2ccc(N)cc2)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "MXNNTNFLRICRPT-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "MXNNTNFLRICRPT-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:26108"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.Nc1ccc(Cc2ccc(N)cc2)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Cl.Cl.Nc1ccc(Cc2ccc(N)cc2)cc1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "4,4'-methylenebisbenzenamine Dihydrochloride"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.Nc1ccc(Cc2ccc(N)cc2)cc1"
          ]
        }
      ],
      "attested_by": {
        "Cl.Cl.Nc1ccc(Cc2ccc(N)cc2)cc1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C13H14N2.2ClH/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;;/h1-8H,9,14-15H2;2*1H"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "4,4'-methylenebisbenzenamine Dihydrochloride"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.Nc1ccc(Cc2ccc(N)cc2)cc1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C13H14N2.2ClH/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;;/h1-8H,9,14-15H2;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": [
        "4,4'-methylenebisbenzenamine Dihydrochloride"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "4,4'-methylenebisbenzenamine Dihydrochloride"
        ]
      },
      "attested_by": {
        "4,4'-methylenebisbenzenamine Dihydrochloride": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        271.191
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.Cl.Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.Nc1ccc(Cc2ccc(N)cc2)cc1"
          ]
        }
      ],
      "attested_by": {
        "271.191": [
          "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": [
        270.069054
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.Cl.Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.Nc1ccc(Cc2ccc(N)cc2)cc1"
          ]
        }
      ],
      "attested_by": {
        "270.069054": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.033.562",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:26108;CAS:13552-44-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13552-44-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=13552-44-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "13552-44-8"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID9020871",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:26108;CAS:13552-44-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13552-44-8]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S0V6PBT14R",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:26108;CAS:13552-44-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13552-44-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/26108",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:26108;CAS:13552-44-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[13552-44-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27288417",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:26108;CAS:13552-44-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13552-44-8]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "4,4'-methylenebisbenzenamine 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": "08a91e70-3ddc-11dd-9adb-0050c2490048",
  "identifier": "08a91e70-3ddc-11dd-9adb-0050c2490048",
  "source": "EF 3.1",
  "cas_numbers": [
    "13552-44-8"
  ],
  "ec_numbers": [
    "236-934-2"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Long-term"
  },
  "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": 0.0
    },
    {
      "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": 0.0
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-lote",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-1728d9aa23ddbc60",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-11dd-9adb-0050c2490048",
        "skos:prefLabel": "4,4'-methylenebisbenzenamine dihydrochloride",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified (long-term)",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/08a91e70-3ddc-11dd-9adb-0050c2490048"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/08a91e70-3ddc-11dd-9adb-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": "dedupe_altlabels",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "13552-44-8": "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": "4,4'-methylenebisbenzenamine dihydrochloride",
    "synonyms": [
      "4,4'-DIAMINODIPHENYLMETHANE",
      "4,4'-DiaminodiPhenyl-Methane",
      "4,4'-Diaminodiphenylmethan",
      "4,4'-Dimethylenediamine",
      "4,4'-Diphenylmethanediamine",
      "4,4'-MDA",
      "4,4'-Methylene dianiline",
      "4,4'-Methylene(bisaniline)",
      "4,4'-Methylenebis(aniline)",
      "4,4'-Methylenebis(benzeneamine)",
      "4,4'-Methylenebisaniline",
      "4,4'-Methylenebisbenzenamine",
      "4,4'-Methylenedianiline",
      "4,4'-diaminodiphenylmethane dihydrochloride",
      "4,4'-diaminodiphenylmethane, sodium chloride (3:1)",
      "4,4'-methanediyldianiline",
      "4-(4-Aminobenzyl)aniline",
      "4-(4-Aminobenzyl)phenylamine",
      "4-[(4-aminophenyl)methyl]aniline",
      "AC-10921",
      "AC1L1P2V",
      "AC1Q2AM9",
      "AC1Q51ZB",
      "AC1Q51ZC",
      "AKOS000118778",
      "Ancamine TL",
      "Aniline, 4,4'-methylenedi-",
      "Araldite hardener 972",
      "Avaldite HT 972",
      "BB_SC-0056",
      "Benzenamine, 4,4'-methylenebis-",
      "Bis(4-aminophenyl)methane",
      "Bis(p-aminophenyl)methane",
      "Bis-p-aminofenylmethan",
      "Curithane",
      "Dadpm",
      "Di(4-aminophenyl)methane",
      "Di-(4-aminophenyl)methane",
      "Diaminodiphenylmethane",
      "Dianilinemethane",
      "Dianilinomethane",
      "Epicure DDM",
      "Epikure DDM",
      "HT 972",
      "I14-7089",
      "Jeffamine AP-20",
      "Jsp000240",
      "Methylenebis(aniline)",
      "Methylenedianiline",
      "Methylenedianiline (VAN)",
      "NCI-C54604",
      "Oprea1_406523",
      "SDCCGMLS-0066191.P001",
      "SMR000019102",
      "Sumicure M",
      "Tonox",
      "p,p'-Diaminodifenylmethan",
      "p,p'-Diaminodiphenylmethane",
      "p,p'-Methylenedianiline",
      "p-Toluidine, .alpha.-(p-aminophenyl)-",
      "p-Toluidine, alpha-(p-aminophenyl)-"
    ],
    "context": [
      "Emissions",
      "Emissions to air",
      "Emissions to air, unspecified (long-term)"
    ],
    "cas_numbers": [
      "13552-44-8"
    ],
    "ec_numbers": [
      "236-934-2"
    ],
    "unit": "kg"
  }
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.