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Dibromopentafluoropropane

2D structure
Flow Object IDfo-a358f16a7dc0ea71
TypeConsensus
prefLabel
Label Language
Dibromopentafluoropropane en
CAS Numbers 431-78-7
Changes Applied12

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow0d797796-6556-11dd-ad8b-0800200c9a66

Properties

Predicate Value
InChIKey FBSVDEAZUPYBGV-UHFFFAOYSA-N, PZNIYCULZNYNKM-UHFFFAOYSA-N
InChI InChI=1S/C3HBr2F5/c4-1(5)2(6,7)3(8,9)10/h1H
IUPAC name Dibromopentafluoropropane
Molecular formula C3HBr2F5
Molecular mass 291.839
Monoisotopic mass 289.836515
SMILES FC(F)(F)C(F)(F)C(Br)Br

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
0d797798… EF 3.1 kg Environmental → Air → Aircraft cruise height 0 1
fe0acd60… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
fe0acd60… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 0 1
fe0acd60… EF 3.1 kg Environmental → Air → High stack, >150 meters 0 1
fe0acd60… EF 3.1 kg Environmental → Air → Unknown 0 1
0d797796… EF 3.1 kg Environmental → Ground → Agricultural 0 1
0d797799… EF 3.1 kg Environmental → Ground → Unknown 0 1
0d79779a… EF 3.1 kg Environmental → Water → Ocean 0 1
0d797797… EF 3.1 kg Environmental → Water → Surface water 0 1
0d79779c… EF 3.1 kg Environmental → Water → Unknown 0 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
0d797796… cas_match_labels — {"431-78-7":"exactMatch"} group_key=dibromopentafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'431-78-7': []}; assigned CAS labels from group consensus; object_uuid=fo-a358f16a7dc0ea71: {'431-78-7': 'exactMatch'}
0d797797… cas_match_labels — {"431-78-7":"exactMatch"} group_key=dibromopentafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'431-78-7': []}; assigned CAS labels from group consensus; object_uuid=fo-a358f16a7dc0ea71: {'431-78-7': 'exactMatch'}
0d797798… cas_match_labels — {"431-78-7":"exactMatch"} group_key=dibromopentafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'431-78-7': []}; assigned CAS labels from group consensus; object_uuid=fo-a358f16a7dc0ea71: {'431-78-7': 'exactMatch'}
0d797799… cas_match_labels — {"431-78-7":"exactMatch"} group_key=dibromopentafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'431-78-7': []}; assigned CAS labels from group consensus; object_uuid=fo-a358f16a7dc0ea71: {'431-78-7': 'exactMatch'}
0d79779a… cas_match_labels — {"431-78-7":"exactMatch"} group_key=dibromopentafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'431-78-7': []}; assigned CAS labels from group consensus; object_uuid=fo-a358f16a7dc0ea71: {'431-78-7': 'exactMatch'}
0d79779b… cas_match_labels — {"431-78-7":"exactMatch"} group_key=dibromopentafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'431-78-7': []}; assigned CAS labels from group consensus; object_uuid=fo-a358f16a7dc0ea71: {'431-78-7': 'exactMatch'}
0d79779c… cas_match_labels — {"431-78-7":"exactMatch"} group_key=dibromopentafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'431-78-7': []}; assigned CAS labels from group consensus; object_uuid=fo-a358f16a7dc0ea71: {'431-78-7': 'exactMatch'}
0d79779d… cas_match_labels — {"431-78-7":"exactMatch"} group_key=dibromopentafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'431-78-7': []}; assigned CAS labels from group consensus; object_uuid=fo-a358f16a7dc0ea71: {'431-78-7': 'exactMatch'}
fe0acd60… cas_match_labels — {"431-78-7":"exactMatch"} group_key=dibromopentafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'431-78-7': []}; assigned CAS labels from group consensus; object_uuid=fo-a358f16a7dc0ea71: {'431-78-7': 'exactMatch'}
fe0acd60… cas_match_labels — {"431-78-7":"exactMatch"} group_key=dibromopentafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'431-78-7': []}; assigned CAS labels from group consensus; object_uuid=fo-a358f16a7dc0ea71: {'431-78-7': 'exactMatch'}
fe0acd60… cas_match_labels — {"431-78-7":"exactMatch"} group_key=dibromopentafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'431-78-7': []}; assigned CAS labels from group consensus; object_uuid=fo-a358f16a7dc0ea71: {'431-78-7': 'exactMatch'}
fe0acd60… cas_match_labels — {"431-78-7":"exactMatch"} group_key=dibromopentafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'431-78-7': []}; assigned CAS labels from group consensus; object_uuid=fo-a358f16a7dc0ea71: {'431-78-7': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-a358f16a7dc0ea71",
  "prefLabel": [
    {
      "@value": "Dibromopentafluoropropane",
      "@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": [
        "C3HBr2F5"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:12702815"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(F)C(F)(F)C(Br)Br"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FBSVDEAZUPYBGV-UHFFFAOYSA-N",
        "PZNIYCULZNYNKM-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:12702815"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(F)C(F)(F)C(Br)Br"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "FC(F)(F)C(F)(F)C(Br)Br"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Dibromopentafluoropropane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(F)C(F)(F)C(Br)Br"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C3HBr2F5/c4-1(5)2(6,7)3(8,9)10/h1H"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Dibromopentafluoropropane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(F)C(F)(F)C(Br)Br"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Dibromopentafluoropropane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Dibromopentafluoropropane"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "291.839"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(F)(F)F)(C(F)(F)Br)Br"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(F)C(F)(F)C(Br)Br"
          ]
        }
      ],
      "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": [
        "289.836515"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(F)(F)F)(C(F)(F)Br)Br"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(F)C(F)(F)C(Br)Br"
          ]
        }
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.804.901C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12702815;CAS:431-78-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[431-78-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=431-78-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "431-78-7"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID90507412",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12702815;CAS:431-78-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[431-78-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/12702815",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12702815;CAS:431-78-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[431-78-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82363629",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12702815;CAS:431-78-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[431-78-7]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0d797796-6556-11dd-ad8b-0800200c9a66",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "431-78-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=431-78-7"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=431-78-7"
        }
      ],
      "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
}