Consensus flow list

Identity

Type
Molecular complex
CAS
12021-95-3
EC
234-666-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Hexafluorozirconate(2-)

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DXIGZHYPWYIZLM-UHFFFAOYSA-J
InChI2D string chemrof:inchi2d_string InChI=1S/6FH.Zr/h6*1H;/q;;;;;;+4/p-4
IUPAC name chemrof:IUPAC_name hexafluorozirconium(2-);hydron, hexakis(fluoranyl)zirconium(2-);hydron, tetrafluorozirconium;dihydrofluoride, tetrakis(fluoranyl)zirconium;dihydrofluoride
Molecular formula chemrof:molecular_formula F6H2Zr, H2F6Zr
Molecular mass chemrof:molecular_mass 207.228
Monoisotopic mass chemrof:monoisotopic_mass 205.910774
SMILES string chemrof:smiles_string F.F.F[Zr](F)(F)F, [H+].[H+].F[Zr-2](F)(F)(F)(F)F

Known URLs

5

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=12021-95-3 enrich_references.consensus_cas_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20893178 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/14299283 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/22731701 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q62018152 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ae166e83-75ac-40d1-8c0f-b81580f52781 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
8c14c847-9f09-4061-8834-5e308e8164ce Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
9c697cdc-5f92-4c5b-b62c-defd16e58767 Environmental → Air → Indoor EF 3.1 kg 4
b1f0acab-3532-4adc-99b6-5a85a1c3c309 Environmental → Air → Long-term EF 3.1 kg 0
9d510d46-5e52-4579-8825-1f0610af675c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
6f82f836-0f35-4836-996d-c4577e781a88 Environmental → Air → Unknown EF 3.1 kg 4
98303364-f2f7-4f6d-ba40-d9ae4910efb3 Environmental → Ground → Agricultural EF 3.1 kg 4
fdd2ed75-9a0c-48a6-97d6-150f7b2e283a Environmental → Ground → Non-agricultural EF 3.1 kg 4
c117e8a2-efc2-4a41-bc5b-d974d8cd64d4 Environmental → Ground → Unknown EF 3.1 kg 4
0d8eb79a-3c1c-4f70-a307-52e5e9030583 Environmental → Water → Long-term EF 3.1 kg 0
92f29b64-3991-4a41-b6e5-3fb5dc411bcb Environmental → Water → Ocean EF 3.1 kg 4
e16cec13-9707-4230-b675-27aa7df2a3b4 Environmental → Water → Surface water EF 3.1 kg 4
a169c517-7d94-4660-af08-a30c6655d21b Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-6e9ee4a9b401b31e",
  "prefLabel": [
    {
      "@value": "Hexafluorozirconate(2-)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Dihydrogen hexafluorozirconate(2-)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:12021-95-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=12021-95-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fluorozirconic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:12021-95-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=12021-95-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fluozirconic(IV) acid (H2ZrF6)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:12021-95-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=12021-95-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexafluorozirconium acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:12021-95-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=12021-95-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hydrogen hexafluorozirconate(IV)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:12021-95-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=12021-95-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hydrogen zirconium fluoride (H2ZrF6)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:12021-95-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=12021-95-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nanotex ZR 16",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:12021-95-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=12021-95-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zirconate(2-), hexafluoro-, dihydrogen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:12021-95-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=12021-95-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zirconate(2-), hexafluoro-, dihydrogen, (OC-6-11)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:12021-95-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=12021-95-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zirconate(2-), hexafluoro-, hydrogen (1:2), (OC-6-11)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:12021-95-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=12021-95-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "F6H2Zr",
        "H2F6Zr"
      ],
      "attested_by": {
        "F6H2Zr": [
          "enrich_references.pubchem_semantic"
        ],
        "H2F6Zr": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:14299283",
            "CID:22731701"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "F.F.F[Zr](F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "F.F.F[Zr](F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DXIGZHYPWYIZLM-UHFFFAOYSA-J"
      ],
      "attested_by": {
        "DXIGZHYPWYIZLM-UHFFFAOYSA-J": [
          "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:14299283",
            "CID:22731701"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "F.F.F[Zr](F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "F.F.F[Zr](F)(F)F",
        "[H+].[H+].F[Zr-2](F)(F)(F)(F)F"
      ],
      "attested_by": {
        "F.F.F[Zr](F)(F)F": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ],
        "[H+].[H+].F[Zr-2](F)(F)(F)(F)F": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:14299283",
            "CID:22731701"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "F.F.F[Zr](F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/6FH.Zr/h6*1H;/q;;;;;;+4/p-4"
      ],
      "attested_by": {
        "InChI=1S/6FH.Zr/h6*1H;/q;;;;;;+4/p-4": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:14299283",
            "CID:22731701"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "F.F.F[Zr](F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "hexafluorozirconium(2-);hydron",
        "hexakis(fluoranyl)zirconium(2-);hydron",
        "tetrafluorozirconium;dihydrofluoride",
        "tetrakis(fluoranyl)zirconium;dihydrofluoride"
      ],
      "attested_by": {
        "hexafluorozirconium(2-);hydron": [
          "enrich_references.pubchem_semantic"
        ],
        "hexakis(fluoranyl)zirconium(2-);hydron": [
          "enrich_references.pubchem_semantic"
        ],
        "tetrafluorozirconium;dihydrofluoride": [
          "enrich_references.pubchem_semantic"
        ],
        "tetrakis(fluoranyl)zirconium;dihydrofluoride": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14299283",
          "CID:22731701"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        207.228
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "F.F.F[Zr](F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "F.F.F[Zr](F)(F)F"
          ]
        }
      ],
      "attested_by": {
        "207.228": [
          "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": [
        205.910774
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "F.F.F[Zr](F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "F.F.F[Zr](F)(F)F"
          ]
        }
      ],
      "attested_by": {
        "205.910774": [
          "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=12021-95-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "12021-95-3"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID20893178",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:22731701;CAS:12021-95-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[12021-95-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/14299283",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14299283;CAS:12021-95-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[12021-95-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/22731701",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:22731701;CAS:12021-95-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[12021-95-3]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q62018152",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14299283;CAS:12021-95-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[12021-95-3]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0d8eb79a-3c1c-4f70-a307-52e5e9030583",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_neutral",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/MolecularComplex"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_neutral"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "12021-95-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=12021-95-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=12021-95-3"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "234-666-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=234-666-0"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/MolecularComplex"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.