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Butafenacil

fo-45633452ba62257a

Identity

Type
Neutral molecule
CAS
134605-64-4
EC
603-837-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Butafenacil

What it is used for

2

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
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

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JEDYYFXHPAIBGR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H18ClF3N2O6/c1-5-8-31-17(29)19(2,3)32-16(28)12-9-11(6-7-13(12)21)26-15(27)10-14(20(22,23)24)25(4)18(26)30/h5-7,9-10H,1,8H2,2-4H3
IUPAC name chemrof:IUPAC_name 1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]benzoate
Molecular formula chemrof:molecular_formula C20H18ClF3N2O6
Molecular mass chemrof:molecular_mass 474.819
Monoisotopic mass chemrof:monoisotopic_mass 474.080549, 474.08055
SMILES string chemrof:smiles_string C=CCOC(=O)C(C)(C)OC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl

Known URLs

20

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=134605-64-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:143863 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.112.043 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9034365 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB15261 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB15261 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1867342 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7Z141CCP2R enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.647.113E enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=155381 enrich_references.pubchem_identifier_url
pesticides pesticides:butafenacil enrich_references.chebi_xrefs
ppdb ppdb:1163 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11826859 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/22856683 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25090246 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28962437 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30968200 enrich_references.chebi_xrefs
reaxys reaxys:11322304 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27269041 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Butafenacil enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
d8635356-5919-43d1-b969-47f768d3d9fd Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1dfe4196-3c13-40d2-bb1e-58da86895c8f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
96f38a92-f88b-4bed-878d-0e0a9d9fe311 Environmental → Air → Indoor EF 3.1 kg 4
9f467858-98bc-4970-9ebf-190af4456046 Environmental → Air → Long-term EF 3.1 kg 0
f1434734-2d5d-4e16-8e95-6776ca7e7523 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f97a91c0-df5b-4c91-adf2-36b3e4446d7b Environmental → Air → Unknown EF 3.1 kg 4
a86bf5b2-8bcf-4e3e-94b7-d91ab0787504 Environmental → Ground → Agricultural EF 3.1 kg 4
9182d7fe-bbcf-4f0a-a986-95668a06e81f Environmental → Ground → Non-agricultural EF 3.1 kg 4
572db7766ce8fbcf4ac5651f06639a8835d8b6c6 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4e536fbc-f08b-4036-b3ff-8de387742e76 Environmental → Ground → Unknown EF 3.1 kg 4
66de7b5f-9c6f-44a3-b82c-784a1601f3d7 Environmental → Water → Long-term EF 3.1 kg 0
6d7710e1-878d-41d4-b2c6-82979927d0b1 Environmental → Water → Ocean EF 3.1 kg 4
fd98a32e-55ef-40e0-aa4d-61d198592868 Environmental → Water → Surface water EF 3.1 kg 4
97498774-d3c8-4e89-8838-13a281a0dfcb Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-45633452ba62257a",
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    {
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
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  "altLabel": [
    {
      "@value": "(2-allyloxy-1,1-dimethyl-2-oxo-ethyl) 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2h)-pyrimidin-1-yl]benzoate",
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    {
      "@value": "1-(allyloxycarbonyl)-1-methylethyl 2-chloro-5-[1,2,3,6-tetrahydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate",
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    },
    {
      "@value": "2-Chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]benzoic acid 1-allyloxycarbonyl-1-methylethyl ester",
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    {
      "@value": "2-methyl-1-oxo-1-[(prop-2-en-1-yl)oxy]propan-2-yl 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl]benzoate",
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      "@value": "Benzoic acid, 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester",
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    },
    {
      "@value": "Butafenacil allyl",
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    },
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    {
      "@value": "Inspire",
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