Sulcotrione
fo-f7b37bff026da9c3
Identity
- Type
- Neutral molecule
- CAS
- 99105-77-8
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
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
6- 1,3-Cyclohexanedione, 2-[2-chloro-4-(methylsulfonyl)benzoyl]-
- 2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione
- 2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione
- Chlormesulone
- ICI-A 0051
- Mikado
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | PQTBTIFWAXVEPB-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione |
| Molecular formula chemrof:molecular_formula | C14H13ClO5S |
| Molecular mass chemrof:molecular_mass | 328.773 |
| Monoisotopic mass chemrof:monoisotopic_mass | 328.01722, 328.017222 |
| SMILES string chemrof:smiles_string | CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1 |
Known URLs
18Where 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=99105-77-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83465 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.125.657 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.205.245 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9058230 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2252422 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5UEH9SXW7V | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0258570 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J660.087E | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=155893 | enrich_references.pubchem_identifier_url |
| pesticides | pesticides:sulcotrione | enrich_references.chebi_xrefs |
| ppdb | ppdb:600 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/91760 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23821594 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25052526 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25331320 | enrich_references.chebi_xrefs |
| reaxys | reaxys:8155739 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q22808904 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0db3061c-d66d-441d-953c-d4ac60059e60 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| eb4ebb69-8214-4a40-9e06-c2d55df1f8d1 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 73940e7e-4c67-45f6-b1d4-5c3c9b90573d | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 493d02d1-4b4b-4734-bb5a-30129c8c4447 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fbd06ad7-4e2b-4418-badc-13aae0a00026 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 1f14dbc1-c703-4271-8002-e4f39eb05d80 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 58e1ca33-fe4e-4a11-977a-cd806ce52af5 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 7a9a948c-b2a8-4a3b-96f1-16baf3fe2d64 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 3469ee9dcdecd124e0cd6067678e71ea37a71892 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 0aeef5e8-4cae-47e2-8b02-2079d54e60c9 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 18f576c8-320d-4f2c-bad9-5a83ad6c27df | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| ff3c065f-bee2-4224-acbf-a424b8e255e9 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 32a8c83c-e307-4df1-9f6a-f3288358540a | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| f5ec7c8b-2f54-44d4-ad6b-d1572b62823a | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works