← Back to consensus flow objects

Dibromofluoropropane

2D structure
Flow Object IDfo-f9151ca61622f058
TypeConsensus
prefLabel
Label Language
Dibromofluoropropane en
CAS Numbers 453-00-9
Changes Applied12

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow0d7977b0-6556-11dd-ad8b-0800200c9a66

Properties

Predicate Value
InChIKey AFFOKUQXXFCVEE-UHFFFAOYSA-N, UWOIAAKWSKTDDO-UHFFFAOYSA-N, UWOIAAKWSKTDDO-VKHMYHEASA-N
InChI InChI=1S/C3H5Br2F/c1-2-3(4,5)6/h2H2,1H3
IUPAC name Dibromofluoropropane
Molecular formula C3H5Br2F
Molecular mass 219.879
Monoisotopic mass 217.874203
SMILES CCC(F)(Br)Br

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
0d7977b2… 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
0d7977b0… EF 3.1 kg Environmental → Ground → Agricultural 0 1
0d7977b3… EF 3.1 kg Environmental → Ground → Unknown 0 1
0d7977b4… EF 3.1 kg Environmental → Water → Ocean 0 1
0d7977b1… EF 3.1 kg Environmental → Water → Surface water 0 1
0d799e91… EF 3.1 kg Environmental → Water → Unknown 0 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
0d7977b0… cas_match_labels — {"453-00-9":"exactMatch"} group_key=dibromofluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'453-00-9': []}; assigned CAS labels from group consensus; object_uuid=fo-f9151ca61622f058: {'453-00-9': 'exactMatch'}
0d7977b1… cas_match_labels — {"453-00-9":"exactMatch"} group_key=dibromofluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'453-00-9': []}; assigned CAS labels from group consensus; object_uuid=fo-f9151ca61622f058: {'453-00-9': 'exactMatch'}
0d7977b2… cas_match_labels — {"453-00-9":"exactMatch"} group_key=dibromofluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'453-00-9': []}; assigned CAS labels from group consensus; object_uuid=fo-f9151ca61622f058: {'453-00-9': 'exactMatch'}
0d7977b3… cas_match_labels — {"453-00-9":"exactMatch"} group_key=dibromofluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'453-00-9': []}; assigned CAS labels from group consensus; object_uuid=fo-f9151ca61622f058: {'453-00-9': 'exactMatch'}
0d7977b4… cas_match_labels — {"453-00-9":"exactMatch"} group_key=dibromofluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'453-00-9': []}; assigned CAS labels from group consensus; object_uuid=fo-f9151ca61622f058: {'453-00-9': 'exactMatch'}
0d799e90… cas_match_labels — {"453-00-9":"exactMatch"} group_key=dibromofluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'453-00-9': []}; assigned CAS labels from group consensus; object_uuid=fo-f9151ca61622f058: {'453-00-9': 'exactMatch'}
0d799e91… cas_match_labels — {"453-00-9":"exactMatch"} group_key=dibromofluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'453-00-9': []}; assigned CAS labels from group consensus; object_uuid=fo-f9151ca61622f058: {'453-00-9': 'exactMatch'}
0d799e92… cas_match_labels — {"453-00-9":"exactMatch"} group_key=dibromofluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'453-00-9': []}; assigned CAS labels from group consensus; object_uuid=fo-f9151ca61622f058: {'453-00-9': 'exactMatch'}
fe0acd60… cas_match_labels — {"453-00-9":"exactMatch"} group_key=dibromofluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'453-00-9': []}; assigned CAS labels from group consensus; object_uuid=fo-f9151ca61622f058: {'453-00-9': 'exactMatch'}
fe0acd60… cas_match_labels — {"453-00-9":"exactMatch"} group_key=dibromofluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'453-00-9': []}; assigned CAS labels from group consensus; object_uuid=fo-f9151ca61622f058: {'453-00-9': 'exactMatch'}
fe0acd60… cas_match_labels — {"453-00-9":"exactMatch"} group_key=dibromofluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'453-00-9': []}; assigned CAS labels from group consensus; object_uuid=fo-f9151ca61622f058: {'453-00-9': 'exactMatch'}
fe0acd60… cas_match_labels — {"453-00-9":"exactMatch"} group_key=dibromofluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'453-00-9': []}; assigned CAS labels from group consensus; object_uuid=fo-f9151ca61622f058: {'453-00-9': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-f9151ca61622f058",
  "prefLabel": [
    {
      "@value": "Dibromofluoropropane",
      "@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": [
        "C3H5Br2F"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:2773985",
            "CID:97291116"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC(F)(Br)Br"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "AFFOKUQXXFCVEE-UHFFFAOYSA-N",
        "UWOIAAKWSKTDDO-UHFFFAOYSA-N",
        "UWOIAAKWSKTDDO-VKHMYHEASA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:2773985",
            "CID:97291116"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC(F)(Br)Br"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCC(F)(Br)Br"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Dibromofluoropropane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC(F)(Br)Br"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C3H5Br2F/c1-2-3(4,5)6/h2H2,1H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Dibromofluoropropane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC(F)(Br)Br"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Dibromofluoropropane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Dibromofluoropropane"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "219.879"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(CBr)Br)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC(F)(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": [
        "217.874203"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(CBr)Br)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC(F)(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=J575.120I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2773985;CAS:453-00-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[453-00-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=453-00-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "453-00-9"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID20378814",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2773985;CAS:453-00-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[453-00-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/2773985",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2773985;CAS:453-00-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[453-00-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/97291116",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:97291116;CAS:453-00-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[453-00-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82168392",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2773985;CAS:453-00-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[453-00-9]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0d7977b0-6556-11dd-ad8b-0800200c9a66",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "453-00-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=453-00-9"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=453-00-9"
        }
      ],
      "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
}