Consensus flow list

Identity

Type
NeutralMolecule
CAS
128621-72-7
EC
603-289-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Carfentrazone

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

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YHKBGVDUSSWOAB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H10Cl2F3N3O3/c1-5-19-21(13(24)20(5)12(17)18)10-3-6(2-8(15)11(22)23)7(14)4-9(10)16/h3-4,8,12H,2H2,1H3,(H,22,23)
IUPAC name chemrof:IUPAC_name rac-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid
Molecular formula chemrof:molecular_formula C13H10Cl2F3N3O3
Molecular mass chemrof:molecular_mass 384.138, 384.141
Monoisotopic mass chemrof:monoisotopic_mass 383.00513, 383.005131
SMILES string chemrof:smiles_string Cc1nn(-c2cc(CC(Cl)C(=O)O)c(Cl)cc2F)c(=O)n1C(F)F

Known URLs

22

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:IND43949506 enrich_references.chebi_xrefs
agr agr:IND601311521 enrich_references.chebi_xrefs
agr agr:IND601311645 enrich_references.chebi_xrefs
agr agr:IND601311784 enrich_references.chebi_xrefs
agr agr:IND604817631 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=128621-72-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:138240 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3415 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.127.279 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10869766 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WAH5515N4U enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.457.248A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11493 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11493 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=69683 enrich_references.pubchem_identifier_url
pesticides pesticides:carfentrazone enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/443229 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/20506426 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28731694 enrich_references.chebi_xrefs
reaxys reaxys:9078578 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2938723 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Carfentrazone enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
2047578f-5e30-4c98-bc46-fc4432a5fe41 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7e543730-b44d-47b1-9a19-8d630bf49966 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
bf8bbe38-9234-4c10-a7e7-43d0eca12d38 Environmental → Air → Indoor EF 3.1 kg 2
6d922ad3-ca93-4890-b1a1-fb7d21580274 Environmental → Air → Long-term EF 3.1 kg 0
214e57df-68e9-4f0c-9404-162e4b5e82c6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8c660f0c-457b-4323-ab0c-26652d1d51bb Environmental → Air → Unknown EF 3.1 kg 2
e3c04676-1ce3-45ef-a52d-93af1b85769e Environmental → Ground → Agricultural EF 3.1 kg 2
f9ed9810-7539-4219-90d6-22f4667f6b02 Environmental → Ground → Non-agricultural EF 3.1 kg 2
f2b55b5f1d057767808d639cc16f75eb81a696cb Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
d1198156-3bb1-481c-acfa-25883952f01f Environmental → Ground → Unknown EF 3.1 kg 2
e34aa5af-4402-4d95-9a90-cd0e45762025 Environmental → Water → Long-term EF 3.1 kg 0
4bf2c543-c42c-4e83-a907-94ce8f06e2a7 Environmental → Water → Ocean EF 3.1 kg 2
1743ac23-0457-49fd-8dc1-6df845e8ea99 Environmental → Water → Surface water EF 3.1 kg 2
5e55cc46-9161-4262-b4ed-a9bb44c4fab4 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-bbded391a166c895",
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      "@value": "Carfentrazone",
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  "properties": {
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