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1,2,3-tribromo-3,3-difluoropropane

2D structure
Flow Object IDfo-92fc7b1b48e73ac2
TypeConsensus
prefLabel
Label Language
1,2,3-tribromo-3,3-difluoropropane en
CAS Numbers 666-25-1
Changes Applied12

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow172a8bea-6556-11dd-ad8b-0800200c9a66

Properties

Predicate Value
InChIKey BIPNHKIZWPWMMC-UHFFFAOYSA-N
InChI InChI=1S/C3H3Br3F2/c4-1-2(5)3(6,7)8/h2H,1H2
IUPAC name 1,2,3-tribromo-3,3-difluoropropane
Molecular formula C3H3Br3F2
Molecular mass 316.765
Monoisotopic mass 313.775293
SMILES FC(F)(Br)C(Br)CBr

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
172a8bec… 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
172a8bea… EF 3.1 kg Environmental → Ground → Agricultural 0 1
172a8bed… EF 3.1 kg Environmental → Ground → Unknown 0 1
172a8bee… EF 3.1 kg Environmental → Water → Ocean 0 1
172a8beb… EF 3.1 kg Environmental → Water → Surface water 0 1
172a8bf0… EF 3.1 kg Environmental → Water → Unknown 0 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
172a8bea… cas_match_labels — {"666-25-1":"exactMatch"} group_key=1,2,3-tribromo-3,3-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'666-25-1': []}; assigned CAS labels from group consensus; object_uuid=fo-92fc7b1b48e73ac2: {'666-25-1': 'exactMatch'}
172a8beb… cas_match_labels — {"666-25-1":"exactMatch"} group_key=1,2,3-tribromo-3,3-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'666-25-1': []}; assigned CAS labels from group consensus; object_uuid=fo-92fc7b1b48e73ac2: {'666-25-1': 'exactMatch'}
172a8bec… cas_match_labels — {"666-25-1":"exactMatch"} group_key=1,2,3-tribromo-3,3-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'666-25-1': []}; assigned CAS labels from group consensus; object_uuid=fo-92fc7b1b48e73ac2: {'666-25-1': 'exactMatch'}
172a8bed… cas_match_labels — {"666-25-1":"exactMatch"} group_key=1,2,3-tribromo-3,3-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'666-25-1': []}; assigned CAS labels from group consensus; object_uuid=fo-92fc7b1b48e73ac2: {'666-25-1': 'exactMatch'}
172a8bee… cas_match_labels — {"666-25-1":"exactMatch"} group_key=1,2,3-tribromo-3,3-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'666-25-1': []}; assigned CAS labels from group consensus; object_uuid=fo-92fc7b1b48e73ac2: {'666-25-1': 'exactMatch'}
172a8bef… cas_match_labels — {"666-25-1":"exactMatch"} group_key=1,2,3-tribromo-3,3-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'666-25-1': []}; assigned CAS labels from group consensus; object_uuid=fo-92fc7b1b48e73ac2: {'666-25-1': 'exactMatch'}
172a8bf0… cas_match_labels — {"666-25-1":"exactMatch"} group_key=1,2,3-tribromo-3,3-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'666-25-1': []}; assigned CAS labels from group consensus; object_uuid=fo-92fc7b1b48e73ac2: {'666-25-1': 'exactMatch'}
172a8bf1… cas_match_labels — {"666-25-1":"exactMatch"} group_key=1,2,3-tribromo-3,3-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'666-25-1': []}; assigned CAS labels from group consensus; object_uuid=fo-92fc7b1b48e73ac2: {'666-25-1': 'exactMatch'}
fe0acd60… cas_match_labels — {"666-25-1":"exactMatch"} group_key=1,2,3-tribromo-3,3-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'666-25-1': []}; assigned CAS labels from group consensus; object_uuid=fo-92fc7b1b48e73ac2: {'666-25-1': 'exactMatch'}
fe0acd60… cas_match_labels — {"666-25-1":"exactMatch"} group_key=1,2,3-tribromo-3,3-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'666-25-1': []}; assigned CAS labels from group consensus; object_uuid=fo-92fc7b1b48e73ac2: {'666-25-1': 'exactMatch'}
fe0acd60… cas_match_labels — {"666-25-1":"exactMatch"} group_key=1,2,3-tribromo-3,3-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'666-25-1': []}; assigned CAS labels from group consensus; object_uuid=fo-92fc7b1b48e73ac2: {'666-25-1': 'exactMatch'}
fe0acd60… cas_match_labels — {"666-25-1":"exactMatch"} group_key=1,2,3-tribromo-3,3-difluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'666-25-1': []}; assigned CAS labels from group consensus; object_uuid=fo-92fc7b1b48e73ac2: {'666-25-1': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-92fc7b1b48e73ac2",
  "prefLabel": [
    {
      "@value": "1,2,3-tribromo-3,3-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": [
        "C3H3Br3F2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:140227873"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(Br)C(Br)CBr"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BIPNHKIZWPWMMC-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:140227873"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(Br)C(Br)CBr"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "FC(F)(Br)C(Br)CBr"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,2,3-tribromo-3,3-difluoropropane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(Br)C(Br)CBr"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C3H3Br3F2/c4-1-2(5)3(6,7)8/h2H,1H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,2,3-tribromo-3,3-difluoropropane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(Br)C(Br)CBr"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1,2,3-tribromo-3,3-difluoropropane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1,2,3-tribromo-3,3-difluoropropane"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "316.765"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(C(F)(F)Br)Br)Br"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(Br)C(Br)CBr"
          ]
        }
      ],
      "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": [
        "313.775293"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(C(F)(F)Br)Br)Br"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(Br)C(Br)CBr"
          ]
        }
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=666-25-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "666-25-1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID001345477",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:140227873;CAS:666-25-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[666-25-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/140227873",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:140227873;CAS:666-25-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[666-25-1]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "172a8bea-6556-11dd-ad8b-0800200c9a66",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "666-25-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=666-25-1"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=666-25-1"
        }
      ],
      "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
}