Consensus flow list

Identity

Type
NeutralMolecule
CAS
83066-88-0
EC
617-435-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for Fluazifop-P

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

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

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YUVKUEAFAVKILW-SECBINFHSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)/t9-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C[C@@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)O
IUPAC name chemrof:IUPAC_name (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid
Molecular formula chemrof:molecular_formula C15H12F3NO4
Molecular mass chemrof:molecular_mass 327.258
Monoisotopic mass chemrof:monoisotopic_mass 327.07184, 327.071843
SMILES string chemrof:smiles_string CC(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)O

Known URLs

21

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:IND20390341 enrich_references.chebi_xrefs
agr agr:IND20565494 enrich_references.chebi_xrefs
agr agr:IND20581162 enrich_references.chebi_xrefs
agr agr:IND21992457 enrich_references.chebi_xrefs
agr agr:IND22000227 enrich_references.chebi_xrefs
agr agr:IND22296775 enrich_references.chebi_xrefs
agr agr:IND23223208 enrich_references.chebi_xrefs
agr agr:IND43901152 enrich_references.chebi_xrefs
agr agr:IND601311753 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=83066-88-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83599 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.126.119 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0058194 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2272787 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/P3S3257FZF enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J387.991G enrich_references.pubchem_identifier_url
pesticides pesticides:fluazifop-p enrich_references.chebi_xrefs
ppdb ppdb:813 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/91733 enrich_references.pubchem_compound
reaxys reaxys:8852807 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27156996 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
5904c01b-e609-4e4a-a983-f1fc08568171 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
79cf4321-c6b9-401c-a945-e3aaad9433da Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a527709b-76c4-47ef-8329-57f0d9bba686 Environmental → Air → Indoor EF 3.1 kg 4
717f9755-6e1a-436e-9851-4e1b98767896 Environmental → Air → Long-term EF 3.1 kg 0
290259ad-9591-4dfb-881e-02916a77b486 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4043916e-142b-4612-8bb1-123fc567df3c Environmental → Air → Unknown EF 3.1 kg 4
eb6e3f3d-7979-495e-a125-b008ffcc1e6a Environmental → Ground → Agricultural EF 3.1 kg 4
93409483-2aab-4eb7-8f6d-132fd7976079 Environmental → Ground → Non-agricultural EF 3.1 kg 4
9e74e15e8467a31289adb81a244500987555409f Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
8e40ac9c-162a-4461-93b9-096f1d2ae69b Environmental → Ground → Unknown EF 3.1 kg 4
c406e830-b14b-4f19-9b93-8d0254db95fd Environmental → Water → Long-term EF 3.1 kg 0
bcae435b-95ba-4bb4-8fc5-9669ef582e18 Environmental → Water → Ocean EF 3.1 kg 4
c6fbcbab-33b8-46a4-abac-a516679c4947 Environmental → Water → Surface water EF 3.1 kg 4
8aa07699-827f-43da-b776-779d6acba686 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (60 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-6d53b407eee70ce0",
  "prefLabel": [
    {
      "@value": "Fluazifop-P",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
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    }
  ],
  "altLabel": [
    {
      "@value": "(+)-(R)-fluazifop",
      "@language": "en",
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      }
    },
    {
      "@value": "(2r)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic Acid",
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    },
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    },
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      "@value": "Oneside P",
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    },
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