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Pyraflufen-ethyl

fo-854b805c7a0dc635

Identity

Type
Neutral molecule
CAS
129630-19-9
EC
—
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Pyraflufen-ethyl

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

3

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string APTZNLHMIGJTEW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3
IUPAC name chemrof:IUPAC_name ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]acetate
Molecular formula chemrof:molecular_formula C15H13Cl2F3N2O4
Molecular mass chemrof:molecular_mass 413.179
Monoisotopic mass chemrof:monoisotopic_mass 412.020447, 412.02045
SMILES string chemrof:smiles_string CCOC(=O)COc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl

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
agr agr:IND43730727 enrich_references.chebi_xrefs
agr agr:IND44405977 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=129630-19-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81828 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C18554 enrich_references.chebi_xrefs
patent patent:CN101828555 enrich_references.chebi_xrefs
pesticides pesticides:derivatives/pyraflufen-ethyl enrich_references.chebi_xrefs
ppdb ppdb:565 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17159321 enrich_references.chebi_xrefs
reaxys reaxys:11519423 enrich_references.chebi_xrefs

Elementary flows

7
Flow Context Source Unit CFs
26b2cf73dff6d585c59d62902b6cd29c336c9e5f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
9dca57282b2bd1767a0ebc0b1a95eb405a856ff1 Environmental → Air → Unknown ecoinvent algorithm addition kg 0
ca0486701a675f55bb2e7922e6f804d1281f0469 Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
f74ee6967e752cfdd54bae918d374b633e7e5360 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
3dee00370944c9020d49ca8c026d4ef8aedbf7c3 Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
09a495115db4cb8ea17b835af30b630fbb25e51d Environmental → Water → Surface water ecoinvent algorithm addition kg 0
95eb8593faec187a481ab4122671f897f94e2d2b Environmental → Water → Unknown ecoinvent algorithm addition kg 0

History

Everything that changed this substance (0 changes)

Open the changes page

Full record

Flow object JSON 
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      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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