Consensus flow list

Identity

Type
NeutralMolecule
CAS
138526-69-9
EC
418-480-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 1-bromo-3,4,5-trifluorobenzene

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HKJCELUUIFFSIN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H2BrF3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
IUPAC name chemrof:IUPAC_name 1-bromo-3,4,5-trifluorobenzene
Molecular formula chemrof:molecular_formula C6H2BrF3
Molecular mass chemrof:molecular_mass 210.98
Monoisotopic mass chemrof:monoisotopic_mass 209.929197
SMILES string chemrof:smiles_string Fc1cc(Br)cc(F)c1F

Known URLs

7

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=138526-69-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.101.729 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.132.759 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID70346346 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.388.379C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/611409 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72513212 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5e8bcc59-c4f4-4560-9e6a-fa4e0d032a26 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
911fbba0-ccfa-4f02-84bf-f2332b1f55bf Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
50a62c09-9bbf-44b5-ae98-79fc5e6c8014 Environmental → Air → Indoor EF 3.1 kg 2
1a870299-6acc-4817-bb57-5f5643e1174b Environmental → Air → Long-term EF 3.1 kg 0
87e0479a-90c5-450f-9848-6763a16b58f4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4cdc073f-9b69-4758-9ced-8176aa05be10 Environmental → Air → Unknown EF 3.1 kg 2
3333de9a-bdad-4958-9a26-7d36b722483c Environmental → Ground → Agricultural EF 3.1 kg 2
75fcec2b-761f-427e-8d52-7503cca33e80 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6c407149-f241-4db1-9648-65e2c827a45e Environmental → Ground → Unknown EF 3.1 kg 2
42805c42-3cb1-449b-8d3d-e5c93f5d4065 Environmental → Water → Long-term EF 3.1 kg 0
65ff1894-18f3-4a61-9222-2bc65efa8a51 Environmental → Water → Ocean EF 3.1 kg 2
7de36450-5833-45df-b006-6f9ba152e434 Environmental → Water → Surface water EF 3.1 kg 2
c4f1a0c8-c889-4430-8fc7-9d08be1cfd98 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-51e7231cc09e397a",
  "prefLabel": [
    {
      "@value": "1-bromo-3,4,5-trifluorobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2,3-Trifluoro-5-bromobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:138526-69-9",
          "EF 3.1",
          "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",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:138526-69-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=138526-69-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,4,5-Trifluorobromobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,4,5-Trifluorophenyl bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Bromo-1,2,6-trifluorobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Bromo-1,2,3-trifluorobenzene",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 5-bromo-1,2,3-trifluoro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    }
  ],
  "properties": {
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      "@value": [
        "C6H2BrF3"
      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "Molecular formula",
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        },
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    },
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      "provenance": [
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        },
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      ],
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      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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      },
      "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",
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      "@value": [
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      ],
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
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  "created_from": {
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  "parent_flow_object_id": null,
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  "@type": [
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}

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