Consensus flow list

Identity

Type
NeutralMolecule
CAS
60207-31-0
EC
262-102-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Azaconazole

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

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string AKNQMEBLVAMSNZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2
IUPAC name chemrof:IUPAC_name 1-[[2-(2,4-Dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole
Molecular formula chemrof:molecular_formula C12H11Cl2N3O2
Molecular mass chemrof:molecular_mass 300.145
Monoisotopic mass chemrof:monoisotopic_mass 299.02283, 299.022832
SMILES string chemrof:smiles_string Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1

Known URLs

19

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=60207-31-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81898 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.056.439 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3041613 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL261627 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/45683D94EU enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J17.947G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18701 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D03023 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18701 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D03023 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C75197 enrich_references.pubchem_identifier_url
pesticides pesticides:azaconazole enrich_references.chebi_xrefs
ppdb ppdb:45 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/43233 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=108350 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/3969677 enrich_references.chebi_xrefs
reaxys reaxys:822252 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q15632846 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
62880da1-926a-4aa0-9c1c-41d5041912d5 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1244d85d-8ae8-453c-be90-cdc99d2c7d45 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
5f3164de-3266-42b9-8f1f-b0581175082f Environmental → Air → Indoor EF 3.1 kg 2
ebf4dde9-6b32-42b7-bb4a-bed8bc33ce23 Environmental → Air → Long-term EF 3.1 kg 0
b4f2667d-922e-4d4a-b37e-201fd4006338 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fce7ab8c-db73-4d01-9f11-2777258b96f7 Environmental → Air → Unknown EF 3.1 kg 2
9a5dec24-ca4b-4363-9d4a-081ee502abd5 Environmental → Ground → Agricultural EF 3.1 kg 2
76ca34ee-80ba-40f0-a7b1-cd36fe3344f2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
637b47117c37791230fed84db9df047820b44d6f Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
17f6aabe-daf1-4ef4-bde3-d8e01dc12b80 Environmental → Ground → Unknown EF 3.1 kg 2
d56abec4-9009-4c25-b168-1ebf5a8b313d Environmental → Water → Long-term EF 3.1 kg 0
7e128477-28aa-4116-8c71-4a015cbb0071 Environmental → Water → Ocean EF 3.1 kg 2
a1f43013-9dac-41d7-92bf-748b169e28e9 Environmental → Water → Surface water EF 3.1 kg 2
0ff5fc94-655e-4598-94d7-c096c4b64e18 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
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