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Isoxadifenethyl

fo-3a6d385869b6d6c3

Identity

Type
Neutral molecule
CAS
163520-33-0
EC
443-870-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Isoxadifenethyl

What it is used for

1

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

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string MWKVXOJATACCCH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H17NO3/c1-2-21-17(20)16-13-18(22-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
IUPAC name chemrof:IUPAC_name ethyl 4,5-dihydro-5,5-diphenyl-1,2-oxazole-3-carboxylate
Molecular formula chemrof:molecular_formula C18H17NO3
Molecular mass chemrof:molecular_mass 295.338
Monoisotopic mass chemrof:monoisotopic_mass 295.12084, 295.120843
SMILES string chemrof:smiles_string CCOC(=O)C1=NOC(c2ccccc2)(c2ccccc2)C1

Known URLs

15

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=163520-33-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:132497 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.103.917 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.130.400 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7040360 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185294 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/71LF32W32E enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.688.212E enrich_references.pubchem_identifier_url
pesticides pesticides:derivatives/isoxadifen-ethyl enrich_references.chebi_xrefs
ppdb ppdb:1576 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6451155 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/19663557 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20127755 enrich_references.chebi_xrefs
reaxys reaxys:8913194 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27225597 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
d6b477d0-06d1-40a0-87f1-5d03d9115e9e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
04ca361c-13f2-4353-9422-d067173e8820 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8950d0dd-c447-49b6-9198-db298610686a Environmental → Air → Indoor EF 3.1 kg 2
5816558a-7233-46f8-9406-fd1e61728591 Environmental → Air → Long-term EF 3.1 kg 0
30643b7f-0654-47c7-a74a-52fb590d6e74 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
479c077c-8aff-4424-8fdf-04f426342470 Environmental → Air → Unknown EF 3.1 kg 2
30d0a772-3f08-4e1b-94cc-cda0d0bc5867 Environmental → Ground → Agricultural EF 3.1 kg 2
3e35d112-555f-4ace-810e-35f15c060889 Environmental → Ground → Non-agricultural EF 3.1 kg 2
44d9e87b687c81cc3213d9d60c7a0430e73becc4 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
a2fd55a4-701c-40d6-888b-e776d10ca31e Environmental → Ground → Unknown EF 3.1 kg 2
56e4b60d-fa39-4143-9a00-508e5a0b4a04 Environmental → Water → Long-term EF 3.1 kg 0
7cd30f6a-e572-4e57-b4b3-9e0d03c31dce Environmental → Water → Ocean EF 3.1 kg 2
41f3c11a-390d-4c35-b978-7d4654c4e8cf Environmental → Water → Surface water EF 3.1 kg 2
521bbf21-f789-42ea-ad14-0648df4ae6b1 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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}

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