← Back to consensus flow objects

1,3-dibromo-1,1-difluoropropane

2D structure
Flow Object IDfo-02d1e04941f76349
TypeConsensus
prefLabel
Label Language
1,3-dibromo-1,1-difluoropropane en
CAS Numbers 460-25-3
Changes Applied12

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow0d799e93-6556-11dd-ad8b-0800200c9a66

Properties

Predicate Value
InChIKey JJOKVZBVPCSGJM-UHFFFAOYSA-N, PRAYGQDVLDHWHA-UHFFFAOYSA-N
InChI InChI=1S/C3H4Br2F2/c4-2-1-3(5,6)7/h1-2H2
IUPAC name 1,3-dibromo-1,1-difluoropropane
Molecular formula C3H4Br2F2, C9H11ClO
Molecular mass 237.869
Monoisotopic mass 235.864781
SMILES FC(F)(Br)CCBr

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
0d799e95… EF 3.1 kg Environmental → Air → Aircraft cruise height 0 1
4d9a8790… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
4d9a8790… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 0 1
4d9a8790… EF 3.1 kg Environmental → Air → High stack, >150 meters 0 1
4d9a8790… EF 3.1 kg Environmental → Air → Unknown 0 1
0d799e93… EF 3.1 kg Environmental → Ground → Agricultural 0 1
0d799e96… EF 3.1 kg Environmental → Ground → Unknown 0 1
0d799e97… EF 3.1 kg Environmental → Water → Ocean 0 1
0d799e94… EF 3.1 kg Environmental → Water → Surface water 0 1
0d799e99… EF 3.1 kg Environmental → Water → Unknown 0 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
0d799e93… cas_match_labels — {"460-25-3":"exactMatch"} group_key=1,3-dibromo-1,1-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'460-25-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-02d1e04941f76349: {'460-25-3': 'exactMatch'}
0d799e94… cas_match_labels — {"460-25-3":"exactMatch"} group_key=1,3-dibromo-1,1-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'460-25-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-02d1e04941f76349: {'460-25-3': 'exactMatch'}
0d799e95… cas_match_labels — {"460-25-3":"exactMatch"} group_key=1,3-dibromo-1,1-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'460-25-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-02d1e04941f76349: {'460-25-3': 'exactMatch'}
0d799e96… cas_match_labels — {"460-25-3":"exactMatch"} group_key=1,3-dibromo-1,1-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'460-25-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-02d1e04941f76349: {'460-25-3': 'exactMatch'}
0d799e97… cas_match_labels — {"460-25-3":"exactMatch"} group_key=1,3-dibromo-1,1-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'460-25-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-02d1e04941f76349: {'460-25-3': 'exactMatch'}
0d799e98… cas_match_labels — {"460-25-3":"exactMatch"} group_key=1,3-dibromo-1,1-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'460-25-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-02d1e04941f76349: {'460-25-3': 'exactMatch'}
0d799e99… cas_match_labels — {"460-25-3":"exactMatch"} group_key=1,3-dibromo-1,1-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'460-25-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-02d1e04941f76349: {'460-25-3': 'exactMatch'}
0d799e9a… cas_match_labels — {"460-25-3":"exactMatch"} group_key=1,3-dibromo-1,1-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'460-25-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-02d1e04941f76349: {'460-25-3': 'exactMatch'}
4d9a8790… cas_match_labels — {"460-25-3":"exactMatch"} group_key=1,3-dibromo-1,1-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'460-25-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-02d1e04941f76349: {'460-25-3': 'exactMatch'}
4d9a8790… cas_match_labels — {"460-25-3":"exactMatch"} group_key=1,3-dibromo-1,1-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'460-25-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-02d1e04941f76349: {'460-25-3': 'exactMatch'}
4d9a8790… cas_match_labels — {"460-25-3":"exactMatch"} group_key=1,3-dibromo-1,1-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'460-25-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-02d1e04941f76349: {'460-25-3': 'exactMatch'}
4d9a8790… cas_match_labels — {"460-25-3":"exactMatch"} group_key=1,3-dibromo-1,1-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'460-25-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-02d1e04941f76349: {'460-25-3': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-02d1e04941f76349",
  "prefLabel": [
    {
      "@value": "1,3-dibromo-1,1-difluoropropane",
      "@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": [
        "C3H4Br2F2",
        "C9H11ClO"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:68027",
            "CID:95271"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(Br)CCBr"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "JJOKVZBVPCSGJM-UHFFFAOYSA-N",
        "PRAYGQDVLDHWHA-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:68027",
            "CID:95271"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(Br)CCBr"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "FC(F)(Br)CCBr"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,3-dibromo-1,1-difluoropropane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(Br)CCBr"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C3H4Br2F2/c4-2-1-3(5,6)7/h1-2H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,3-dibromo-1,1-difluoropropane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(Br)CCBr"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1,3-dibromo-1,1-difluoropropane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1,3-dibromo-1,1-difluoropropane"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "237.869"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(CBr)C(F)(F)Br"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(Br)CCBr"
          ]
        }
      ],
      "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": [
        "235.864781"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(CBr)C(F)(F)Br"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(Br)CCBr"
          ]
        }
      ],
      "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=J1.388.155C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:68027;CAS:460-25-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-25-3]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J309.933D",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95271;CAS:460-25-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-25-3]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.050.755",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95271;CAS:460-25-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-25-3]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=42489-57-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95271;CAS:460-25-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-25-3]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=460-25-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "460-25-3"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID70195275",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95271;CAS:460-25-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-25-3]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID8073188",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:68027;CAS:460-25-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-25-3]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=26778",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95271;CAS:460-25-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-25-3]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q06SD7S123",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95271;CAS:460-25-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-25-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/68027",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:68027;CAS:460-25-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[460-25-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/95271",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95271;CAS:460-25-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[460-25-3]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82001583",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:68027;CAS:460-25-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-25-3]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q83068156",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95271;CAS:460-25-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-25-3]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0d799e93-6556-11dd-ad8b-0800200c9a66",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "460-25-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=460-25-3"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=460-25-3"
        }
      ],
      "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
}