Consensus flow list

Identity

Type
NeutralMolecule
CAS
7647-19-0
EC
231-602-3
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Phosphorus Pentafluoride

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OBCUTHMOOONNBS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/F5P/c1-6(2,3,4)5
IUPAC name chemrof:IUPAC_name Phosphorus Pentafluoride
Molecular formula chemrof:molecular_formula F5P
Molecular mass chemrof:molecular_mass 125.964
Monoisotopic mass chemrof:monoisotopic_mass 125.965778
SMILES string chemrof:smiles_string FP(F)(F)(F)F

Known URLs

3

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=7647-19-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30202 enrich_references.chebi_id_link
gmelin gmelin:2397 enrich_references.chebi_xrefs

Elementary flows

1
Flow Context Source Unit CFs
7412a81d1b83656dd8dcde908838444eac94c11e Environmental → Air → Unknown ecoinvent algorithm addition kg 0

History

Everything that changed this substance (0 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-36edc94603a44d5c",
  "prefLabel": [
    {
      "@value": "Phosphorus Pentafluoride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "PF5",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12",
          "http://purl.obolibrary.org/obo/CHEBI_30202"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "[PF5]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12",
          "http://purl.obolibrary.org/obo/CHEBI_30202"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "pentafluoridophosphorus",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12",
          "http://purl.obolibrary.org/obo/CHEBI_30202"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "pentafluoro-lambda(5)-phosphane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12",
          "http://purl.obolibrary.org/obo/CHEBI_30202"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "phosphorus(V) fluoride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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          "ecoinvent-3.12",
          "http://purl.obolibrary.org/obo/CHEBI_30202"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Pentafluorophosphorane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pentafluorophosphorus",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorane, pentafluoro-",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorus fluoride (PF5)",
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  "properties": {
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    },
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    },
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}

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