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Tetrafluoro-m-phenylenediamine Dihydrochloride

2D structure
Flow Object IDfo-f11f641285138b07
TypeConsensus
prefLabel
Label Language
Tetrafluoro-m-phenylenediamine Dihydrochloride en
CAS Numbers 63886-77-1
Changes Applied13

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow08a91e70-3ddc-11dd-9ae6-0050c2490048

Properties

Predicate Value
InChIKey BOFSWFOBIRPGRC-UHFFFAOYSA-N, QYRFJLLXPINATB-UHFFFAOYSA-N
InChI InChI=1S/C6H4F4N2.2ClH/c7-11(8)5-2-1-3-6(4-5)12(9)10;;/h1-4H;2*1H
IUPAC name Tetrafluoro-m-phenylenediamine Dihydrochloride
Molecular formula C6H6Cl2F4N2
Molecular mass 253.026
Monoisotopic mass 251.984416
SMILES Cl.Cl.FN(F)c1cccc(N(F)F)c1

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
3e4d77a3… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 1
08a91e70… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
08a91e70… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 1
08a91e70… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 1
08a91e70… EF 3.1 kg Environmental → Air → Unknown 2 1
67eb1423… EF 3.1 kg Environmental → Air → Unknown 2 1
08a91e70… EF 3.1 kg Environmental → Ground → Agricultural 2 1
08a91e70… EF 3.1 kg Environmental → Ground → Unknown 2 1
08a91e70… EF 3.1 kg Environmental → Water → Ocean 2 1
08a91e70… EF 3.1 kg Environmental → Water → Surface water 2 1
08a91e70… EF 3.1 kg Environmental → Water → Unknown 2 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
08a91e70… cas_match_labels — {"63886-77-1":"exactMatch"} group_key=tetrafluoro-m-phenylenediaminedihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'63886-77-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f11f641285138b07: {'63886-77-1': 'exactMatch'}
08a91e70… cas_match_labels — {"63886-77-1":"exactMatch"} group_key=tetrafluoro-m-phenylenediaminedihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'63886-77-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f11f641285138b07: {'63886-77-1': 'exactMatch'}
08a91e70… cas_match_labels — {"63886-77-1":"exactMatch"} group_key=tetrafluoro-m-phenylenediaminedihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'63886-77-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f11f641285138b07: {'63886-77-1': 'exactMatch'}
08a91e70… cas_match_labels — {"63886-77-1":"exactMatch"} group_key=tetrafluoro-m-phenylenediaminedihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'63886-77-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f11f641285138b07: {'63886-77-1': 'exactMatch'}
08a91e70… cas_match_labels — {"63886-77-1":"exactMatch"} group_key=tetrafluoro-m-phenylenediaminedihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'63886-77-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f11f641285138b07: {'63886-77-1': 'exactMatch'}
08a91e70… cas_match_labels — {"63886-77-1":"exactMatch"} group_key=tetrafluoro-m-phenylenediaminedihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'63886-77-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f11f641285138b07: {'63886-77-1': 'exactMatch'}
08a91e70… cas_match_labels — {"63886-77-1":"exactMatch"} group_key=tetrafluoro-m-phenylenediaminedihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'63886-77-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f11f641285138b07: {'63886-77-1': 'exactMatch'}
08a91e70… cas_match_labels — {"63886-77-1":"exactMatch"} group_key=tetrafluoro-m-phenylenediaminedihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'63886-77-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f11f641285138b07: {'63886-77-1': 'exactMatch'}
08a91e70… cas_match_labels — {"63886-77-1":"exactMatch"} group_key=tetrafluoro-m-phenylenediaminedihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'63886-77-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f11f641285138b07: {'63886-77-1': 'exactMatch'}
08a91e70… cas_match_labels — {"63886-77-1":"exactMatch"} group_key=tetrafluoro-m-phenylenediaminedihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'63886-77-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f11f641285138b07: {'63886-77-1': 'exactMatch'}
08a91e70… cas_match_labels — {"63886-77-1":"exactMatch"} group_key=tetrafluoro-m-phenylenediaminedihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'63886-77-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f11f641285138b07: {'63886-77-1': 'exactMatch'}
3e4d77a3… cas_match_labels — {"63886-77-1":"exactMatch"} group_key=tetrafluoro-m-phenylenediaminedihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'63886-77-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f11f641285138b07: {'63886-77-1': 'exactMatch'}
67eb1423… cas_match_labels — {"63886-77-1":"exactMatch"} group_key=tetrafluoro-m-phenylenediaminedihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'63886-77-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f11f641285138b07: {'63886-77-1': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-f11f641285138b07",
  "prefLabel": [
    {
      "@value": "Tetrafluoro-m-phenylenediamine Dihydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H6Cl2F4N2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:149026"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.FN(F)c1cccc(N(F)F)c1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BOFSWFOBIRPGRC-UHFFFAOYSA-N",
        "QYRFJLLXPINATB-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:149026"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.FN(F)c1cccc(N(F)F)c1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Cl.Cl.FN(F)c1cccc(N(F)F)c1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Tetrafluoro-m-phenylenediamine Dihydrochloride"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.FN(F)c1cccc(N(F)F)c1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C6H4F4N2.2ClH/c7-11(8)5-2-1-3-6(4-5)12(9)10;;/h1-4H;2*1H"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Tetrafluoro-m-phenylenediamine Dihydrochloride"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.FN(F)c1cccc(N(F)F)c1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Tetrafluoro-m-phenylenediamine Dihydrochloride"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Tetrafluoro-m-phenylenediamine Dihydrochloride"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "253.026"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1(=C(C(=C(C(=C1F)F)F)N)F)N.Cl.Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.FN(F)c1cccc(N(F)F)c1"
          ]
        }
      ],
      "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": [
        "251.984416"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1(=C(C(=C(C(=C1F)F)F)N)F)N.Cl.Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.FN(F)c1cccc(N(F)F)c1"
          ]
        }
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=63886-77-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "63886-77-1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID6021323",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:149026;CAS:63886-77-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[63886-77-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/149026",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:149026;CAS:63886-77-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[63886-77-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q81983743",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:149026;CAS:63886-77-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[63886-77-1]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "08a91e70-3ddc-11dd-9ae6-0050c2490048",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "63886-77-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=63886-77-1"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=63886-77-1"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null
}