Brightway Flows 1.0
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Fentin Fluoride

fo-9e2e807d626efbc3

Identity

Type
Neutral molecule
CAS
379-52-2
EC
206-833-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Fentin Fluoride

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JBYRKMGOSFMHRL-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/3C6H5.FH.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1
IUPAC name chemrof:IUPAC_name Fluorotriphenylstannane
Molecular formula chemrof:molecular_formula C18H15FSn
Molecular mass chemrof:molecular_mass 369.027
Monoisotopic mass chemrof:monoisotopic_mass 370.017973
SMILES string chemrof:smiles_string [F][Sn]([c]1ccccc1)([c]1ccccc1)[c]1ccccc1

Known URLs

7

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=379-52-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.006.213 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3042500 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1YP2L952MD enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9786 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9842248 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27253227 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f26947ef-7c51-4864-bc7a-5fcb1ba17664 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
35111d9a-659e-4fef-bf62-8161453e7857 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
449210d2-ed4c-4421-b657-702592451abd Environmental → Air → Indoor EF 3.1 kg 2
45f92938-3cb4-4341-bc39-4e1e4f34118c Environmental → Air → Long-term EF 3.1 kg 0
48119c65-f155-490a-ab1a-b2519efceb32 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
eb3410e9-9444-46a6-bc62-77fa51b16d14 Environmental → Air → Unknown EF 3.1 kg 2
6be60e11-17e9-441c-b55d-216ed542f828 Environmental → Ground → Agricultural EF 3.1 kg 2
86321fcd-e1ad-4e30-8baa-12f984755399 Environmental → Ground → Non-agricultural EF 3.1 kg 2
19478f8c-031d-47b9-8c1c-7a59ccb7fadb Environmental → Ground → Unknown EF 3.1 kg 2
e7da43b6-c8c8-4316-ab96-41ff1b42f747 Environmental → Water → Long-term EF 3.1 kg 0
4525bc9c-6c5a-472f-bbd5-f13b131bbd49 Environmental → Water → Ocean EF 3.1 kg 2
57bb595a-69eb-4276-986f-22f3fdf522d2 Environmental → Water → Surface water EF 3.1 kg 2
86388557-2661-4c1d-b7bd-ddd02daae2ff Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-9e2e807d626efbc3",
  "prefLabel": [
    {
      "@value": "Fentin Fluoride",
      "@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": "BioMeT 204",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:379-52-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=379-52-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fluorotriphenylstannane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:379-52-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=379-52-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stannane, fluorotriphenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:379-52-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=379-52-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tin triphenylfluoride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:379-52-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=379-52-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tin, fluorotriphenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:379-52-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=379-52-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Triphenyltin fluoride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=379-52-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
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      "@value": [
        "C18H15FSn"
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
            "[F][Sn]([c]1ccccc1)([c]1ccccc1)[c]1ccccc1"
          ]
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      ]
    },
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        "JBYRKMGOSFMHRL-UHFFFAOYSA-M"
      ],
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      "rdfs:label": "InChIKey",
      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[F][Sn]([c]1ccccc1)([c]1ccccc1)[c]1ccccc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "[F][Sn]([c]1ccccc1)([c]1ccccc1)[c]1ccccc1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[F][Sn]([c]1ccccc1)([c]1ccccc1)[c]1ccccc1"
          ]
        }
      ],
      "attested_by": {
        "[F][Sn]([c]1ccccc1)([c]1ccccc1)[c]1ccccc1": [
          "opsin_iupac",
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/3C6H5.FH.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1"
      ],
      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[F][Sn]([c]1ccccc1)([c]1ccccc1)[c]1ccccc1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/3C6H5.FH.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1": [
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Fluorotriphenylstannane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        369.027
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C=C1)[Sn+](C2=CC=CC=C2)C3=CC=CC=C3.[F-]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[F][Sn]([c]1ccccc1)([c]1ccccc1)[c]1ccccc1"
          ]
        }
      ],
      "attested_by": {
        "369.027": [
          "rdkit_post_consensus",
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        ]
      },
      "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": [
        370.017973
      ],
      "provenance": [
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          "prov:hadPrimarySource": [
            "C1=CC=C(C=C1)[Sn+](C2=CC=CC=C2)C3=CC=CC=C3.[F-]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[F][Sn]([c]1ccccc1)([c]1ccccc1)[c]1ccccc1"
          ]
        }
      ],
      "attested_by": {
        "370.017973": [
          "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/100.006.213",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9786;CAS:379-52-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[379-52-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=379-52-2",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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    },
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    },
    {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[379-52-2]"
      }
    },
    {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "pubchem.by_cas[379-52-2]"
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        "prov:wasDerivedFrom": "pubchem.by_cas[379-52-2]"
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    },
    {
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        "prov:wasDerivedFrom": "pubchem.identifiers[379-52-2]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "19478f8c-031d-47b9-8c1c-7a59ccb7fadb",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
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      "@value": [
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      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=379-52-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        }
      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "ec_numbers"
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    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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