1-bromo-3,4,5-trifluorobenzene

← Back to consensus flows

1-bromo-3,4,5-trifluorobenzene

UUID 1a870299-6acc-4817-bb57-5f5643e1174b

Flow Object ID fo-51e7231cc09e397a

Source EF 3.1

Context Environmental → Air → Ground level → Rural (<1000 people/square mile)

CAS Numbers 138526-69-9

EC Numbers 418-480-9

prefLabel

Language	Value	Provenance
`en`	`1-bromo-3,4,5-trifluorobenzene`

altLabel ⓘ

Language	Value	Provenance
`en`	`1,2,3-Trifluoro-5-bromobenzene`
`en`	`3,4,5-Trifluoro-1-bromobenzene`
`en`	`3,4,5-Trifluorobromobenzene`
`en`	`3,4,5-Trifluorophenyl bromide`
`en`	`4-Bromo-1,2,6-trifluorobenzene`
`en`	`5-Bromo-1,2,3-trifluorobenzene`
`en`	`Benzene, 5-bromo-1,2,3-trifluoro-`

References

Shared Properties

Predicate	Value
InChIKey	`HKJCELUUIFFSIN-UHFFFAOYSA-N`
InChI	`InChI=1S/C6H2BrF3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H`
IUPAC name	`5-bromanyl-1,2,3-tris(fluoranyl)benzene, 5-bromo-1,2,3-trifluoro-benzene, 5-bromo-1,2,3-trifluorobenzene`
Molecular formula	`C6H2BrF3`
SMILES	`C1=C(C=C(C(=C1F)F)F)Br`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`1a870299-6acc-4817-bb57-5f5643e1174b`	1-bromo-3,4,5-trifluorobenzene

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	1-bromo-3,4,5-trifluorobenzene	Emissions/Emissions to air/Emissions to air, unspecified (long-term)	kg	`exactMatch`	—

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=1-bromo-3,4,5-trifluorobenzene\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=138526-69-9; added Common Chemistry CAS names as altLabel: 1,2,3-Trifluoro-5-bromobenzene, 3,4,5-Trifluoro-1-bromobenzene, 3,4,5-Trifluorobromobenzene, 3,4,5-Trifluorophenyl bromide, 4-Bromo-1,2,6-trifluorobenzene, 5-Bromo-1,2,3-trifluorobenzene, Benzene, 5-bromo-1,2,3-trifluoro-; object_uuid=fo-51e7231cc09e397a
`cas_match_labels`	1	`—`	consensus_match	group_key=1-bromo-3,4,5-trifluorobenzene\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'138526-69-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-51e7231cc09e397a: {'138526-69-9': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Rural (<1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1,2,3-Trifluoro-5-bromobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:138526-69-9', 'https://commonchemistry.cas.org/detail?cas_rn=138526-69-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,4,5-Trifluoro-1-bromobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:138526-69-9', 'https://commonchemistry.cas.org/detail?cas_rn=138526-69-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,4,5-Trifluorobromobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:138526-69-9', 'https://commonchemistry.cas.org/detail?cas_rn=138526-69-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,4,5-Trifluorophenyl bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:138526-69-9', 'https://commonchemistry.cas.org/detail?cas_rn=138526-69-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Bromo-1,2,6-trifluorobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:138526-69-9', 'https://commonchemistry.cas.org/detail?cas_rn=138526-69-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Bromo-1,2,3-trifluorobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:138526-69-9', 'https://commonchemistry.cas.org/detail?cas_rn=138526-69-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzene, 5-bromo-1,2,3-trifluoro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:138526-69-9', 'https://commonchemistry.cas.org/detail?cas_rn=138526-69-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=1-bromo-3,4,5-trifluorobenzene\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=138526-69-9; added Common Chemistry CAS names as altLabel: 1,2,3-Trifluoro-5-bromobenzene, 3,4,5-Trifluoro-1-bromobenzene, 3,4,5-Trifluorobromobenzene, 3,4,5-Trifluorophenyl bromide, 4-Bromo-1,2,6-trifluorobenzene, 5-Bromo-1,2,3-trifluorobenzene, Benzene, 5-bromo-1,2,3-trifluoro-; object_uuid=fo-51e7231cc09e397a
`cas_match_labels`	`None`	`{'138526-69-9': 'exactMatch'}`	group_key=1-bromo-3,4,5-trifluorobenzene\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'138526-69-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-51e7231cc09e397a: {'138526-69-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "1a870299-6acc-4817-bb57-5f5643e1174b",
  "name": null,
  "cas_numbers": [
    "138526-69-9"
  ],
  "ec_numbers": [
    "418-480-9"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Rural (<1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "1a870299-6acc-4817-bb57-5f5643e1174b",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "1a870299-6acc-4817-bb57-5f5643e1174b",
      "source_flow_name": "1-bromo-3,4,5-trifluorobenzene",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to air",
          "Emissions to air, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "1-bromo-3,4,5-trifluorobenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ru10pesq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H2BrF3"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:611409"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "HKJCELUUIFFSIN-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:611409"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=C(C=C(C(=C1F)F)F)Br"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:611409"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C6H2BrF3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:611409"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "5-bromanyl-1,2,3-tris(fluoranyl)benzene",
        "5-bromo-1,2,3-trifluoro-benzene",
        "5-bromo-1,2,3-trifluorobenzene"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:611409"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.388.379C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:611409;CAS:138526-69-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[138526-69-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.101.729",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:611409;CAS:138526-69-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[138526-69-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.132.759",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:611409;CAS:138526-69-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[138526-69-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=138526-69-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:611409;CAS:138526-69-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[138526-69-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID70346346",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:611409;CAS:138526-69-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[138526-69-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/611409",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:611409;CAS:138526-69-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[138526-69-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72513212",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:611409;CAS:138526-69-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[138526-69-9]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2,3-Trifluoro-5-bromobenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:138526-69-9",
          "https://commonchemistry.cas.org/detail?cas_rn=138526-69-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,4,5-Trifluoro-1-bromobenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:138526-69-9",
          "https://commonchemistry.cas.org/detail?cas_rn=138526-69-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,4,5-Trifluorobromobenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:138526-69-9",
          "https://commonchemistry.cas.org/detail?cas_rn=138526-69-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,4,5-Trifluorophenyl bromide",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:138526-69-9",
          "https://commonchemistry.cas.org/detail?cas_rn=138526-69-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Bromo-1,2,6-trifluorobenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:138526-69-9",
          "https://commonchemistry.cas.org/detail?cas_rn=138526-69-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Bromo-1,2,3-trifluorobenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:138526-69-9",
          "https://commonchemistry.cas.org/detail?cas_rn=138526-69-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 5-bromo-1,2,3-trifluoro-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:138526-69-9",
          "https://commonchemistry.cas.org/detail?cas_rn=138526-69-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "138526-69-9": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/1a870299-6acc-4817-bb57-5f5643e1174b",
        "skos:prefLabel": "1-bromo-3,4,5-trifluorobenzene",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified (long-term)",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/1a870299-6acc-4817-bb57-5f5643e1174b"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-51e7231cc09e397a"
}