Consensus flow list

Identity

Type
NeutralMolecule
CAS
41198-08-7
EC
255-255-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
63 across every transformer

Structure

Structure diagram for Profenofos

What it is used for

4

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
acaricide CHEBI:22153 A substance used to destroy pests of the subclass Acari (mites and ticks). ChEBI
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

18

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QYMMJNLHFKGANY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3
IUPAC name chemrof:IUPAC_name O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl thiophosphate
Molecular formula chemrof:molecular_formula C11H15BrClO3PS
Molecular mass chemrof:molecular_mass 373.636
Monoisotopic mass chemrof:monoisotopic_mass 371.93514, 371.935142
SMILES string chemrof:smiles_string CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl

Known URLs

16

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
beilstein beilstein:2150258 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=41198-08-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38845 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.050.215 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3032464 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2138242 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7J04O7BS4W enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J15.829A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18404 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18404 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56030 enrich_references.pubchem_identifier_url
ppdb ppdb:538 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/38779 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3018 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q2111894 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Profenofos enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
d52ab514-05f9-48e1-ad78-ed1e0fcdeedc Environmental → Air → Aircraft cruise height EF 3.1 kg 4
889049a7-6540-4fb0-87b1-edd4b85f5d0d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a692fd3b-39d3-45dd-ad6f-291d867a02ed Environmental → Air → Indoor EF 3.1 kg 4
2c01accb-122b-40ed-b4f0-33466e1a6daf Environmental → Air → Long-term EF 3.1 kg 0
df678d71-ad92-4e4b-8064-41b79d493fe4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
441ae8d6-7b57-4dba-b932-25ba61e33ac9 Environmental → Air → Unknown EF 3.1 kg 4
8e813e5a-151b-481d-95b1-07874b005438 Environmental → Ground → Agricultural EF 3.1 kg 4
75fc3eb0-30a8-4513-89a2-905436394600 Environmental → Ground → Non-agricultural EF 3.1 kg 4
85bdf3d9a1164a2e619d1681bc4f7cd304b09ee0 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
05a59fee-a15b-4189-9f02-25a01f61bd20 Environmental → Ground → Unknown EF 3.1 kg 4
32f09c9d-d46b-4d0f-99e6-e47f5333f863 Environmental → Water → Long-term EF 3.1 kg 0
9414ce44-cbae-4053-ac8e-435792c78d47 Environmental → Water → Ocean EF 3.1 kg 4
bee1de91-80b4-496c-918b-06532fc403f7 Environmental → Water → Surface water EF 3.1 kg 4
b83d1f9b-88d3-4dbc-8a7b-45b5b0187f02 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (63 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c14a0033cb2571e4",
  "prefLabel": [
    {
      "@value": "Profenofos",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:41198-08-7",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Calofos",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carina",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cord",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Cord (insecticide)",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Curacron",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Ictacron",
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      }
    },
    {
      "@value": "O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl Phosphorothioate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl thiophosphate",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "O-Ethyl S-propyl O-(2-chloro-4-bromophenyl)thiophosphate",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O-Ethyl-S-n-propyl-O-(2-chloro-4-bromophenyl)thiophosphate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Polycron",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Profenophos",
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        ],
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      }
    },
    {
      "@value": "Prowess",
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        ],
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      }
    },
    {
      "@value": "Selecron",
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        ],
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      }
    },
    {
      "@value": "Sylian",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tambo",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Teleton",
      "@language": "en",
      "@lang": "en",
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  ],
  "properties": {
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      },
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    },
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      "provenance": [
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
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