Consensus flow list

Identity

Type
NeutralMolecule
CAS
179101-81-6
EC
605-845-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Pyridalyl

What it is used for

2

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
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

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string AEHJMNVBLRLZKK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H14Cl4F3NO3/c19-13-8-12(27-7-4-15(21)22)9-14(20)17(13)29-6-1-5-28-16-3-2-11(10-26-16)18(23,24)25/h2-4,8-10H,1,5-7H2
IUPAC name chemrof:IUPAC_name 2-(3-{2,6-dichloro-4-[(3,3-dichloroprop-2-en-1-yl)oxy]phenoxy}propoxy)-5-(trifluoromethyl)pyridine
Molecular formula chemrof:molecular_formula C18H14Cl4F3NO3
Molecular mass chemrof:molecular_mass 491.12
Monoisotopic mass chemrof:monoisotopic_mass 488.967989, 488.96799
SMILES string chemrof:smiles_string FC(F)(F)c1ccc(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)nc1

Known URLs

13

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=179101-81-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38887 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.129.156 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8034875 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2136658 enrich_references.pubchem_identifier_url
glycosmos.org https://glycosmos.org/glycans/show/G02328FJ enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QTD92Z2P2Z enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.751.699J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18484 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56058 enrich_references.pubchem_identifier_url
ppdb ppdb:1139 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11488729 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q1915098 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
559ef030-4729-48af-8f7f-04d32e75e5d7 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
2128a0e6-a2ca-4141-905b-617048dca148 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e0d15408-b871-421f-82f8-aad9846f5151 Environmental → Air → Indoor EF 3.1 kg 4
ec9a4d85-30f5-4278-b477-8d670df5413b Environmental → Air → Long-term EF 3.1 kg 0
e34981dd-3ac6-4500-bfca-549c875a5332 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d3503f62-5ba0-4d62-b8a2-bc5d998624bf Environmental → Air → Unknown EF 3.1 kg 4
d493ca34-68af-454e-908a-4d2a3f747562 Environmental → Ground → Agricultural EF 3.1 kg 4
da6a573d-a950-47ba-aeff-445fc7a5a82b Environmental → Ground → Non-agricultural EF 3.1 kg 4
1b48a2c06059922b6e367792e09f53dcf1a376e5 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fa94ac21-ba81-49d5-afb7-48020be40e91 Environmental → Ground → Unknown EF 3.1 kg 4
f3b0ba3d-fc2e-4965-8731-cd6aa97adcb8 Environmental → Water → Long-term EF 3.1 kg 0
d97d791a-6455-4b2d-8800-7b511b37a3e2 Environmental → Water → Ocean EF 3.1 kg 4
44a84cae-1e2f-4d8c-917f-f76e1e0fb076 Environmental → Water → Surface water EF 3.1 kg 4
82ef1c69-1e89-45c9-b631-2c306a315b22 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-78e93f1361458571",
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