← Back to consensus flow objects

3-bromo-1,1,1-trifluoropropane

2D structure
Flow Object IDfo-7f6ac531c8146379
TypeConsensus
prefLabel
Label Language
3-bromo-1,1,1-trifluoropropane en
CAS Numbers 460-32-2
Changes Applied12

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow08a91e70-3ddc-11dd-90fa-0050c2490048

Properties

Predicate Value
InChIKey PUCISUQLWLKKJH-UHFFFAOYSA-N, SAUGMJLWYLQPEM-UHFFFAOYSA-N, XRZHWZVROHBBAM-OWOJBTEDSA-N
InChI InChI=1S/C3H4BrF3/c4-2-1-3(5,6)7/h1-2H2
IUPAC name 3-bromo-1,1,1-trifluoropropane
Molecular formula C3H2BrF3, C3H4BrF3, C8H9IO2
Molecular mass 174.947, 176.963
Monoisotopic mass 173.929197, 175.944847
SMILES FC(F)(F)CCBr

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
0d799e9d… EF 3.1 kg Environmental → Air → Aircraft cruise height 0 1
08a91e70… 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
0d799e9b… EF 3.1 kg Environmental → Ground → Agricultural 0 1
0d799e9e… EF 3.1 kg Environmental → Ground → Unknown 0 1
0d799e9f… EF 3.1 kg Environmental → Water → Ocean 0 1
0d799e9c… EF 3.1 kg Environmental → Water → Surface water 0 1
0d799ea1… EF 3.1 kg Environmental → Water → Unknown 0 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
08a91e70… cas_match_labels — {"460-32-2":"exactMatch"} group_key=3-bromo-1,1,1-trifluoropropane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'460-32-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f6ac531c8146379: {'460-32-2': 'exactMatch'}
0d799e9b… cas_match_labels — {"460-32-2":"exactMatch"} group_key=3-bromo-1,1,1-trifluoropropane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'460-32-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f6ac531c8146379: {'460-32-2': 'exactMatch'}
0d799e9c… cas_match_labels — {"460-32-2":"exactMatch"} group_key=3-bromo-1,1,1-trifluoropropane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'460-32-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f6ac531c8146379: {'460-32-2': 'exactMatch'}
0d799e9d… cas_match_labels — {"460-32-2":"exactMatch"} group_key=3-bromo-1,1,1-trifluoropropane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'460-32-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f6ac531c8146379: {'460-32-2': 'exactMatch'}
0d799e9e… cas_match_labels — {"460-32-2":"exactMatch"} group_key=3-bromo-1,1,1-trifluoropropane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'460-32-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f6ac531c8146379: {'460-32-2': 'exactMatch'}
0d799e9f… cas_match_labels — {"460-32-2":"exactMatch"} group_key=3-bromo-1,1,1-trifluoropropane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'460-32-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f6ac531c8146379: {'460-32-2': 'exactMatch'}
0d799ea0… cas_match_labels — {"460-32-2":"exactMatch"} group_key=3-bromo-1,1,1-trifluoropropane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'460-32-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f6ac531c8146379: {'460-32-2': 'exactMatch'}
0d799ea1… cas_match_labels — {"460-32-2":"exactMatch"} group_key=3-bromo-1,1,1-trifluoropropane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'460-32-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f6ac531c8146379: {'460-32-2': 'exactMatch'}
0d799ea2… cas_match_labels — {"460-32-2":"exactMatch"} group_key=3-bromo-1,1,1-trifluoropropane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'460-32-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f6ac531c8146379: {'460-32-2': 'exactMatch'}
fe0acd60… cas_match_labels — {"460-32-2":"exactMatch"} group_key=3-bromo-1,1,1-trifluoropropane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'460-32-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f6ac531c8146379: {'460-32-2': 'exactMatch'}
fe0acd60… cas_match_labels — {"460-32-2":"exactMatch"} group_key=3-bromo-1,1,1-trifluoropropane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'460-32-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f6ac531c8146379: {'460-32-2': 'exactMatch'}
fe0acd60… cas_match_labels — {"460-32-2":"exactMatch"} group_key=3-bromo-1,1,1-trifluoropropane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'460-32-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f6ac531c8146379: {'460-32-2': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-7f6ac531c8146379",
  "prefLabel": [
    {
      "@value": "3-bromo-1,1,1-trifluoropropane",
      "@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": [
        "C3H2BrF3",
        "C3H4BrF3",
        "C8H9IO2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:230307",
            "CID:2725114",
            "CID:5708383"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(F)CCBr"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "PUCISUQLWLKKJH-UHFFFAOYSA-N",
        "SAUGMJLWYLQPEM-UHFFFAOYSA-N",
        "XRZHWZVROHBBAM-OWOJBTEDSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:230307",
            "CID:2725114",
            "CID:5708383"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(F)CCBr"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "FC(F)(F)CCBr"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "3-bromo-1,1,1-trifluoropropane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(F)CCBr"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C3H4BrF3/c4-2-1-3(5,6)7/h1-2H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "3-bromo-1,1,1-trifluoropropane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(F)CCBr"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "3-bromo-1,1,1-trifluoropropane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "3-bromo-1,1,1-trifluoropropane"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "174.947",
        "176.963"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(=C/Br)\\C(F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(F)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": [
        "173.929197",
        "175.944847"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(=C/Br)\\C(F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(F)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=J1.254.470G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5708383;CAS:460-32-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-32-2]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J151.441E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2725114;CAS:460-32-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-32-2]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J436.246B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:230307;CAS:460-32-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-32-2]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.158.935",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2725114;CAS:460-32-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-32-2]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.199.946",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:230307;CAS:460-32-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-32-2]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.216.883",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5708383;CAS:460-32-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-32-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=460-32-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "460-32-2"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=5460-32-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:230307;CAS:460-32-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-32-2]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID10282219",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:230307;CAS:460-32-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-32-2]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID80369364",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2725114;CAS:460-32-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-32-2]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=25012",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:230307;CAS:460-32-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-32-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/230307",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:230307;CAS:460-32-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[460-32-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/2725114",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2725114;CAS:460-32-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[460-32-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/5708383",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5708383;CAS:460-32-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[460-32-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72513550",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2725114;CAS:460-32-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-32-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82016439",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:230307;CAS:460-32-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[460-32-2]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "08a91e70-3ddc-11dd-90fa-0050c2490048",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "460-32-2"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=460-32-2"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=460-32-2"
        }
      ],
      "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
}