Consensus flow list

Identity

Type
NeutralMolecule
CAS
116255-48-2
EC
408-060-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Bromuconazole

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

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HJJVPARKXDDIQD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2
IUPAC name chemrof:IUPAC_name 1-((4-Bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-1H-1,2,4-triazole
Molecular formula chemrof:molecular_formula C13H12BrCl2N3O
Molecular mass chemrof:molecular_mass 377.069
Monoisotopic mass chemrof:monoisotopic_mass 374.954079, 374.95408
SMILES string chemrof:smiles_string Clc1ccc(C2(Cn3cncn3)CC(Br)CO2)c(Cl)c1

Known URLs

23

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:IND43838427 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=116255-48-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81900 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.949 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.133.137 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1264 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9032531 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL271579 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PHS29ZMZ81 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J705.362B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18704 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18704 enrich_references.pubchem_identifier_url
patent patent:EP258161 enrich_references.chebi_xrefs
pesticides pesticides:bromuconazole enrich_references.chebi_xrefs
ppdb ppdb:97 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3444 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/17573638 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19517438 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22532344 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23616354 enrich_references.chebi_xrefs
reaxys reaxys:8393967 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2152394 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
64b1ce54-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-b1a6-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1e88f4a2-53c6-42e2-a5be-73b03e3066f3 Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-b1a5-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-b1a7-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-b1a4-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-b1a2-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-b1ab-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4ad52f3fbddd10b85a8d4f92759f85f649b37d7b Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-b1a3-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-b1a9-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-b1ac-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-b1a8-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
fe0acd60-3ddc-11dd-b1aa-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-d19999cc0420e842",
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  "altLabel": [
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    },
    {
      "@value": "1H-1,2,4-Triazole, 1-[[4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl]methyl]-",
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