Consensus flow list

Tritosulfuron

fo-d04110ba7071e37f

Identity

Type
NeutralMolecule
CAS
142469-14-5
EC
604-291-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Tritosulfuron

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
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. 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

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KVEQCVKVIFQSGC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H9F6N5O4S/c1-28-11-21-8(13(17,18)19)20-9(23-11)22-10(25)24-29(26,27)7-5-3-2-4-6(7)12(14,15)16/h2-5H,1H3,(H2,20,21,22,23,24,25)
IUPAC name chemrof:IUPAC_name 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)benzenesulfonyl]urea
Molecular formula chemrof:molecular_formula C13H9F6N5O4S
Molecular mass chemrof:molecular_mass 445.301
Monoisotopic mass chemrof:monoisotopic_mass 445.02794, 445.027944
SMILES string chemrof:smiles_string COc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)nc(C(F)(F)F)n1

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=142469-14-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83500 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.106.874 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9057975 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/U9927AJG71 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.276.628I enrich_references.pubchem_identifier_url
patent patent:DE10245222 enrich_references.chebi_xrefs
patent patent:EA013226 enrich_references.chebi_xrefs
patent patent:NZ541924 enrich_references.chebi_xrefs
patent patent:NZ570537 enrich_references.chebi_xrefs
pesticides pesticides:tritosulfuron enrich_references.chebi_xrefs
ppdb ppdb:674 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11657899 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/17311398 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30594116 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/37076082 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/37564191 enrich_references.chebi_xrefs
reaxys reaxys:11343519 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q4971946 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
cbe4c742-f13e-4a21-ba7f-f31024025050 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
506e0cda-9b71-4fb8-b620-fbb4c8c2e763 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
619ec76f-f289-4dd1-ad8b-5753c522d85c Environmental → Air → Indoor EF 3.1 kg 4
fe43dbb3-a4a4-431e-baa9-e17316b05713 Environmental → Air → Long-term EF 3.1 kg 0
2a1348f6-427b-4eb0-b80d-0d5b57c28969 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
3410524c-00a1-4d2d-b884-330b11942a74 Environmental → Air → Unknown EF 3.1 kg 4
ac813ce8-608c-44ed-b650-2a770f0634d8 Environmental → Ground → Agricultural EF 3.1 kg 4
c4f09665-1cd1-405b-93db-4b0328af31b6 Environmental → Ground → Non-agricultural EF 3.1 kg 4
3321da4ee99ae1e496cd43b89da416e13f6c0729 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
481444ee-294a-4fd0-9fe3-b0aeddddd86f Environmental → Ground → Unknown EF 3.1 kg 4
79d6e807-311b-494d-8378-a610598c4272 Environmental → Water → Long-term EF 3.1 kg 0
0e75afb6-36d0-4183-8117-36750cd512ce Environmental → Water → Ocean EF 3.1 kg 4
5ebb35f6-4d1c-48a8-8c62-5030ba9f3d07 Environmental → Water → Surface water EF 3.1 kg 4
17f034d5-85d6-43f1-8cde-f93dbf8e3697 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 
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