Consensus flow list

Identity

Type
NeutralMolecule
CAS
42019-78-3
EC
255-627-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for (4-chlorophenyl)(4-hydroxyphenyl)methanone

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RUETVLNXAGWCDS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H9ClO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H
IUPAC name chemrof:IUPAC_name (4-chlorophenyl)(4-hydroxyphenyl)methanone
Molecular formula chemrof:molecular_formula C13H9ClO2
Molecular mass chemrof:molecular_mass 232.666
Monoisotopic mass chemrof:monoisotopic_mass 232.029107
SMILES string chemrof:smiles_string O=C(c1ccc(O)cc1)c1ccc(Cl)cc1

Known URLs

9

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=104135-57-1 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=42019-78-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.050.553 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4047961 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1438628 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FF9YB926A3 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J127.138E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/123504 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72451793 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
cab63685-fd7e-435a-966e-a7028b060cf4 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c5bdda56-45e5-4292-9ac5-7fdb202519ab Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8e4ce12d-b221-424b-bdac-b179b89aca71 Environmental → Air → Indoor EF 3.1 kg 2
30349931-0c5b-4b62-a196-3b72b48d32c0 Environmental → Air → Long-term EF 3.1 kg 0
d4c53ace-5c05-4d8d-b61a-7cd09615eec6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a412dd8a-53ca-407e-a5ee-22ffd88147da Environmental → Air → Unknown EF 3.1 kg 2
74ecd475-1184-47c7-82cb-a97f77035ee6 Environmental → Ground → Agricultural EF 3.1 kg 2
ef5608fb-b32b-45ba-b5e2-521ae80351ce Environmental → Ground → Non-agricultural EF 3.1 kg 2
7b14cc02-7d92-48b9-bb7d-e156c85a14e2 Environmental → Ground → Unknown EF 3.1 kg 2
0b93ca0f-032b-42d2-9bfb-a496ceadb2b2 Environmental → Water → Long-term EF 3.1 kg 0
e4a303e4-bcbe-44f0-b331-e89276e4ba6e Environmental → Water → Ocean EF 3.1 kg 2
98b55f92-8e53-4940-b78e-e81144c2b45d Environmental → Water → Surface water EF 3.1 kg 2
f6ed0a12-4436-4dc4-958b-fbfcb7f76436 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-cdbd2e29f919bab6",
  "prefLabel": [
    {
      "@value": "(4-chlorophenyl)(4-hydroxyphenyl)methanone",
      "@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-(4-Chlorophenyl)-1-(4-hydroxyphenyl)methanone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:42019-78-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=42019-78-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(4-Chlorobenzoyl)phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:42019-78-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=42019-78-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chloro-4′-hydroxybenzophenone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:42019-78-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=42019-78-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Hydroxy-4′-chlorobenzophenone",
      "@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": "4-p-Chlorobenzoylphenol",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4′-Chloro-4-hydroxybenzophenone",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Benzophenone, 4-chloro-4′-hydroxy-",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Methanone, (4-chlorophenyl)(4-hydroxyphenyl)-",
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    },
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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  "@type": [
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}

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