Consensus flow list

Identity

Type
NeutralMolecule
CAS
136426-54-5
EC
411-960-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for Fluquinconazole

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
fungicide CHEBI:24127 A substance used to destroy fungal 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

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IJJVMEJXYNJXOJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H
IUPAC name chemrof:IUPAC_name 3-(2,4-Dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)-4(3H)-quinazolinone
Molecular formula chemrof:molecular_formula C16H8Cl2FN5O
Molecular mass chemrof:molecular_mass 376.178
Monoisotopic mass chemrof:monoisotopic_mass 375.00899, 375.008993
SMILES string chemrof:smiles_string O=c1c2cc(F)ccc2nc(-n2cncn2)n1-c1ccc(Cl)cc1Cl

Known URLs

18

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=136426-54-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83923 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.101.135 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.114.124 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5057965 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL481473 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0AE2N0JNI1 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.102.415G enrich_references.pubchem_identifier_url
patent patent:EP2289324 enrich_references.chebi_xrefs
patent patent:NZ553660 enrich_references.chebi_xrefs
patent patent:NZ585433 enrich_references.chebi_xrefs
pesticides pesticides:fluquinconazol enrich_references.chebi_xrefs
ppdb ppdb:342 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/86417 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/23993516 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24861743 enrich_references.chebi_xrefs
reaxys reaxys:11158677 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q1355196 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
f2742a8a-610a-453e-914b-818d0e86768e Environmental → Air → Aircraft cruise height EF 3.1 kg 4
51376918-ce0f-4855-a604-0b2c4ee2b7ab Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f47cd481-8a91-4cbc-9bed-d83da0996042 Environmental → Air → Indoor EF 3.1 kg 4
adb1ee83-f317-486e-a298-c956f0ef2e79 Environmental → Air → Long-term EF 3.1 kg 0
52a9d738-2a80-4c3d-b0b1-5a08b81cd448 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
8cd615b6-7df4-4e51-b136-bda03df2ffc8 Environmental → Air → Unknown EF 3.1 kg 4
aa8f0b67-2fef-4b84-a6d9-3acc8d88cfb2 Environmental → Ground → Agricultural EF 3.1 kg 4
7ad825c8-4ecd-400b-812d-c532f18226d5 Environmental → Ground → Non-agricultural EF 3.1 kg 4
39db6e4e7acad9a63ebb6a967224239d8b9d7678 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
0d47d983-0529-46b4-b9c4-69b03dacceba Environmental → Ground → Unknown EF 3.1 kg 4
5a23c484-7d2d-4e30-861f-735598d6f41c Environmental → Water → Long-term EF 3.1 kg 0
23a22a91-9b9c-4c85-ae5f-454acad7e7a3 Environmental → Water → Ocean EF 3.1 kg 4
96b8d618-cf5c-4ae4-a1c1-ddf1d0c93d95 Environmental → Water → Surface water EF 3.1 kg 4
5a62de9b-431e-4a12-b066-4ffbe4516cff 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
{
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  "altLabel": [
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    },
    {
      "@value": "4(3H)-Quinazolinone, 3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)-",
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