Consensus flow list

Identity

Type
Neutral molecule
CAS
80-38-6
EC
201-274-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Fenson

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SPJOZZSIXXJYBT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H
IUPAC name chemrof:IUPAC_name 4-Chlorophenyl benzenesulfonate
Molecular formula chemrof:molecular_formula C12H9ClO3S
Molecular mass chemrof:molecular_mass 268.721
Monoisotopic mass chemrof:monoisotopic_mass 267.99609, 267.996093
SMILES string chemrof:smiles_string O=S(=O)(Oc1ccc(Cl)cc1)c1ccccc1

Known URLs

14

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=80-38-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82160 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.159 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6041973 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=406662 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1495617 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DFC2HB4I0K enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0252223 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.249H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19030 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19030 enrich_references.pubchem_identifier_url
ppdb ppdb:1270 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6636 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q22807557 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3353dffa-caaa-4cff-bc05-b79c0afd7f54 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
bbc65807-9908-4b90-b38c-78fdba6cb7f8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
21e09f8c-d68b-44e3-a819-d6359001ade9 Environmental → Air → Indoor EF 3.1 kg 2
2dd2367e-85c6-4f47-aacb-ba9ace13819b Environmental → Air → Long-term EF 3.1 kg 0
0836f3db-16f7-434c-baf2-63644a23993c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2ba53281-6de9-4591-bd8d-22f2aaaded5b Environmental → Air → Unknown EF 3.1 kg 2
1fe7e19d-831f-4212-a9a6-3ae5f90d96bb Environmental → Ground → Agricultural EF 3.1 kg 2
4fef9232-3144-416e-8013-abb2f72e0bc5 Environmental → Ground → Non-agricultural EF 3.1 kg 2
d642ed9963e5e5e441e21a4480b172311eb9de2b Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
12e51572-6dbf-4383-92c0-40a82ff51cc3 Environmental → Ground → Unknown EF 3.1 kg 2
ef8578ad-b896-43e8-bc5e-e6f5e1892bbc Environmental → Water → Long-term EF 3.1 kg 0
528410b6-d9a9-468f-8fbe-8b24b6a0dfa7 Environmental → Water → Ocean EF 3.1 kg 2
a293e975-9027-4b4d-8939-550d58346437 Environmental → Water → Surface water EF 3.1 kg 2
cea43d57-6ea6-48e4-9150-b32295b532fc 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-e73e28dcb6780e3a",
  "prefLabel": [
    {
      "@value": "Fenson",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-Chlorophenyl benzenesulfonate",
      "@language": "en",
      "@lang": "en",
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    },
    {
      "@value": "928",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aracid",
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    },
    {
      "@value": "Benzenesulfonic acid, 4-chlorophenyl ester",
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    },
    {
      "@value": "Benzenesulfonic acid, p-chlorophenyl ester",
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    {
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    },
    {
      "@value": "Murvesco",
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    },
    {
      "@value": "Ovicide Seppic",
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    {
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    },
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