Consensus flow list

Identity

Type
NeutralMolecule
CAS
74070-46-5
EC
277-704-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Aclonifen

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
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

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DDBMQDADIHOWIC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2
IUPAC name chemrof:IUPAC_name 2-chloro-6-nitro-3-phenoxyaniline
Molecular formula chemrof:molecular_formula C12H9ClN2O3
Molecular mass chemrof:molecular_mass 264.668
Monoisotopic mass chemrof:monoisotopic_mass 264.03017
SMILES string chemrof:smiles_string Nc1c([N+](=O)[O-])ccc(Oc2ccccc2)c1Cl

Known URLs

17

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:IND23288545 enrich_references.chebi_xrefs
agr agr:IND600062339 enrich_references.chebi_xrefs
agr agr:IND89065889 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=74070-46-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:137374 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.070.619 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7058175 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1485557 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1762RDA835 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J318.905H enrich_references.pubchem_identifier_url
pesticides pesticides:aclonifen enrich_references.chebi_xrefs
ppdb ppdb:15 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/92389 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/26970782 enrich_references.chebi_xrefs
reaxys reaxys:8321574 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q341945 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Aclonifen enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3e4d9ead-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
3e4d9eaf-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1217a147-3fe2-4c4a-89f8-32dbf07ae588 Environmental → Air → Indoor EF 3.1 kg 4
3e4d9eaa-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Long-term EF 3.1 kg 0
3e4d9eae-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
3e4d9ea9-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-abcc-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-abd1-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
eed1d2ab4f49fba55ae2e6ac33623458bf2f7407 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-abcd-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-abcf-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-abd2-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-abce-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
fe0acd60-3ddc-11dd-abd0-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
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}

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