Consensus flow list

Identity

Type
NeutralMolecule
CAS
113614-08-7
EC
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Beflubutamid

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

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FFQPZWRNXKPNPX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H17F4NO2/c1-2-16(17(24)23-11-12-6-4-3-5-7-12)25-13-8-9-15(19)14(10-13)18(20,21)22/h3-10,16H,2,11H2,1H3,(H,23,24)
IUPAC name chemrof:IUPAC_name (RS)-N-benzyl-2-(alpha,alpha,alpha,4-tetrafluoro-m-tolyloxy)butyramide
Molecular formula chemrof:molecular_formula C18H17F4NO2
Molecular mass chemrof:molecular_mass 355.327, 355.331
Monoisotopic mass chemrof:monoisotopic_mass 355.11954, 355.119542
SMILES string chemrof:smiles_string CCC(Oc1ccc(F)c(C(F)(F)F)c1)C(=O)NCc1ccccc1

Known URLs

6

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=113614-08-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:138192 enrich_references.chebi_id_link
pesticides pesticides:beflubutamid enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22849576 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23009603 enrich_references.chebi_xrefs
reaxys reaxys:11333116 enrich_references.chebi_xrefs

Elementary flows

7
Flow Context Source Unit CFs
4070891c59a51cb1f3d7703f5f454445938fd2b5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
21abe76d1964fc7fe33422ba6f19dc1556f8d9f3 Environmental → Air → Unknown ecoinvent algorithm addition kg 0
152d4e8bc83c718315993f000846ddcc42153e51 Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
40646cd57ec680f4ba77d3533cdf99dff5a21904 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
0e5f7855720916ced133cb1fbc1d001b0fe2e3f6 Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
1da17845470ef6eb3c476a3bc31625e6f3ddccbb Environmental → Water → Surface water ecoinvent algorithm addition kg 0
9cef0978eb685e50a17f48f451da47669a772d3e Environmental → Water → Unknown ecoinvent algorithm addition kg 0

History

Everything that changed this substance (0 changes)

Open the changes page

Full record

Flow object JSON
{
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  "altLabel": [
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    },
    {
      "@value": "rac-(2R)-N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide",
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}

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