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Pentabromofluoropropane

2D structure
Flow Object IDfo-a72c8d6f8a48cd15
TypeConsensus
prefLabel
Label Language
Pentabromofluoropropane en
Changes Applied0

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flowd86b9e7b-6555-11dd-ad8b-0800200c9a66

Properties

Predicate Value
InChIKey MRRRPNIEXOHFCE-UHFFFAOYSA-N
InChI InChI=1S/C3H2Br5F/c4-1-2(5,6)3(7,8)9/h1H2
IUPAC name Pentabromofluoropropane
Molecular formula C3H2Br5F
Molecular mass 456.567
Monoisotopic mass 451.605739
SMILES FC(Br)(Br)C(Br)(Br)CBr

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
d86bc59f… EF 3.1 kg Environmental → Air → Aircraft cruise height 0 0
fe0acd60… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 0
fe0acd60… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 0 0
fe0acd60… EF 3.1 kg Environmental → Air → High stack, >150 meters 0 0
fe0acd60… EF 3.1 kg Environmental → Air → Unknown 0 0
d86b9e7b… EF 3.1 kg Environmental → Ground → Agricultural 0 0
d86bec9f… EF 3.1 kg Environmental → Ground → Unknown 0 0
d86c13a1… EF 3.1 kg Environmental → Water → Ocean 0 0
d86bc57f… EF 3.1 kg Environmental → Water → Surface water 0 0
d86c3ac0… EF 3.1 kg Environmental → Water → Unknown 0 0
▶

Changes Applied

No consensus changes recorded for linked elementary flows.

Flow Object JSON

{
  "flow_object_id": "fo-a72c8d6f8a48cd15",
  "prefLabel": [
    {
      "@value": "Pentabromofluoropropane",
      "@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/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Pentabromofluoropropane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Pentabromofluoropropane"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "FC(Br)(Br)C(Br)(Br)CBr"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Pentabromofluoropropane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(Br)(Br)C(Br)(Br)CBr"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C3H2Br5F/c4-1-2(5,6)3(7,8)9/h1H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Pentabromofluoropropane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(Br)(Br)C(Br)(Br)CBr"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "MRRRPNIEXOHFCE-UHFFFAOYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "FC(Br)(Br)C(Br)(Br)CBr"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C3H2Br5F"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "FC(Br)(Br)C(Br)(Br)CBr"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "456.567"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "FC(Br)(Br)C(Br)(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": [
        "451.605739"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "FC(Br)(Br)C(Br)(Br)CBr"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "d86b9e7b-6555-11dd-ad8b-0800200c9a66",
    "seed_source": "EF 3.1"
  },
  "classifications": {},
  "origin_qualifier": null,
  "parent_flow_object_id": null
}