Consensus flow list

Identity

Type
NeutralMolecule
CAS
72178-02-0
EC
276-439-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
65 across every transformer

Structure

Structure diagram for Fomesafen

What it is used for

3

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
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
herbicide CHEBI:24527 A substance used to destroy plant pests. 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

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BGZZWXTVIYUUEY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)
IUPAC name chemrof:IUPAC_name 5-(2-chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-mesyl-2-nitrobenzamide
Molecular formula chemrof:molecular_formula C15H10ClF3N2O6S
Molecular mass chemrof:molecular_mass 438.767
Monoisotopic mass chemrof:monoisotopic_mass 437.990019, 437.99002
SMILES string chemrof:smiles_string CS(=O)(=O)NC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

Known URLs

32

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
agr agr:IND43973748 enrich_references.chebi_xrefs
agr agr:IND601309730 enrich_references.chebi_xrefs
agr agr:IND601311760 enrich_references.chebi_xrefs
agr agr:IND601311775 enrich_references.chebi_xrefs
agr agr:IND604817646 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=72178-02-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81925 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.069.470 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7024112 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1898629 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/M0A3U4CDTF enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0252429 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J20.689J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18736 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18736 enrich_references.pubchem_identifier_url
pesticides pesticides:fomesafen enrich_references.chebi_xrefs
ppdb ppdb:355 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/51556 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/19846192 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21692513 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22585392 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22757645 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24362514 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24731936 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25703508 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26817647 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27268304 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28370968 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28571854 enrich_references.chebi_xrefs
reaxys reaxys:8165046 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q22807800 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Fomesafen enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
0c1f56a8-2fc9-47ff-b459-edbb96481987 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b579c6c3-9330-4ed5-bf65-54e59b914239 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
b47563c1-570c-470f-9137-e17bdb4c0d24 Environmental → Air → Indoor EF 3.1 kg 4
2edb154d-6de2-4dda-b47f-3237e1e25106 Environmental → Air → Long-term EF 3.1 kg 0
922edee5-8237-4042-8a7e-10974c77c59e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
19828f06-534b-4eac-8944-d5cc6bea8da1 Environmental → Air → Unknown EF 3.1 kg 4
5b31de49-56f1-4b52-ab9f-3b811e091eb2 Environmental → Ground → Agricultural EF 3.1 kg 4
4afb878c-a555-4c3d-b660-b5937944c2ed Environmental → Ground → Non-agricultural EF 3.1 kg 4
c2cb838a68260b686a1e12a765d3a42233bfc43e Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
676d982b-e5c8-41c1-a554-b743a1fdeb7f Environmental → Ground → Unknown EF 3.1 kg 4
dac8f264-ac81-4637-89af-be410a5d8c4e Environmental → Water → Long-term EF 3.1 kg 0
afdee7bc-27fb-44db-bff0-e74fa1178141 Environmental → Water → Ocean EF 3.1 kg 4
c81bc0dc-91bc-4bf9-9c85-2d80630b4997 Environmental → Water → Surface water EF 3.1 kg 4
f7c679a5-3f76-42d1-bbfd-37aab1f26384 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (65 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-71ec602899f7963a",
  "prefLabel": [
    {
      "@value": "Fomesafen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "5-(2-chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-mesyl-2-nitrobenzamide",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methanesulfonyl)-2-nitrobenzamide",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamide",
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      }
    },
    {
      "@value": "5-[2-chloro-4-(trifluoromethyl)phenoxy]-n-(methylsulphonyl)-2-nitrobenzamide",
      "@language": "en",
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-mesyl-2-nitrobenzamide",
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      }
    },
    {
      "@value": "Benzamide, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitro-",
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      }
    },
    {
      "@value": "Flex",
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      }
    },
    {
      "@value": "Flexstar",
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    },
    {
      "@value": "fomesafene",
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    },
    {
      "@value": "N-Methanesulfonyl-5-[(2-chloro-α,α,α-trifluoro-4-tolyl)oxy]-2-nitrobenzamide",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "PP021",
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      }
    },
    {
      "@value": "Reflex",
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    },
    {
      "@value": "Reflex (herbicide)",
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  ],
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      "rdfs:label": "SMILES",
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