Consensus flow list

Identity

Type
Neutral molecule
CAS
14548-46-0
EC
238-586-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Phenyl 4-pyridyl Ketone

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SKFLCXNDKRUHTA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H9NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9H
IUPAC name chemrof:IUPAC_name Phenyl 4-pyridyl Ketone
Molecular formula chemrof:molecular_formula C12H9NO
Molecular mass chemrof:molecular_mass 183.21
Monoisotopic mass chemrof:monoisotopic_mass 183.068414
SMILES string chemrof:smiles_string O=C(c1ccccc1)c1ccncc1

Known URLs

10

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=14548-46-0 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:194620 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.035.063 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6022262 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9488 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1446524 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/524YQ3O21T enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J15.003G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/26731 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27260957 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
50351386-bd98-46ef-b2f4-c8498fd7ffca Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4ea6d19c-29dd-4ba1-b108-55f98cfac5bd Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
34742184-5270-4951-94e8-e23ae81a2012 Environmental → Air → Indoor EF 3.1 kg 2
f8ea9b9d-6228-4219-b1e3-44452d3a50d4 Environmental → Air → Long-term EF 3.1 kg 0
4ef863d3-fdad-4631-ade5-e0607ad2021b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9cf10612-35d7-4ab2-bf30-e332a698bdea Environmental → Air → Unknown EF 3.1 kg 2
048d687b-790e-41d9-8123-a7f305378653 Environmental → Ground → Agricultural EF 3.1 kg 2
364030dc-c1a5-4947-aa6a-5174c07f60f9 Environmental → Ground → Non-agricultural EF 3.1 kg 2
f7e0d31d-0833-42c1-bdc7-253112e761b4 Environmental → Ground → Unknown EF 3.1 kg 2
c4f1908f-dafd-4f84-9e29-722c2b919eb3 Environmental → Water → Long-term EF 3.1 kg 0
912b47fb-9ee5-4c99-abe7-9ae426846ddd Environmental → Water → Ocean EF 3.1 kg 2
6442fa93-a294-40f1-8068-fe798f365e28 Environmental → Water → Surface water EF 3.1 kg 2
b7018582-ad29-4b06-9117-5b4efb61afdc Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-dc362f8f87393a6f",
  "prefLabel": [
    {
      "@value": "Phenyl 4-pyridyl Ketone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-Benzoylpyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Pyridyl phenyl ketone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ketone, phenyl 4-pyridyl",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methanone, phenyl-4-pyridinyl-",
      "@language": "en",
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    },
    {
      "@value": "Phenyl(4-pyridinyl)methanone",
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}

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