Consensus flow list

Identity

Type
NeutralMolecule
CAS
581809-46-3
EC
642-423-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Bixafen

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
fungicide CHEBI:24127 A substance used to destroy fungal 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

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LDLMOOXUCMHBMZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)
IUPAC name chemrof:IUPAC_name N-(3',4'-dichloro-5-fluoro[1,1'-biphenyl]-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
Molecular formula chemrof:molecular_formula C18H12Cl2F3N3O
Molecular mass chemrof:molecular_mass 414.214
Monoisotopic mass chemrof:monoisotopic_mass 413.03095, 413.030952
SMILES string chemrof:smiles_string Cn1cc(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)c(C(F)F)n1

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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=581809-46-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83106 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.170.250 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6058134 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/28XK2L8M3B enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.173.240I enrich_references.pubchem_identifier_url
patent patent:EP2039771 enrich_references.chebi_xrefs
patent patent:EP2071953 enrich_references.chebi_xrefs
patent patent:EP2255626 enrich_references.chebi_xrefs
patent patent:US2010324101 enrich_references.chebi_xrefs
patent patent:WO2010136139 enrich_references.chebi_xrefs
patent patent:WO2011073103 enrich_references.chebi_xrefs
patent patent:WO2012020777 enrich_references.chebi_xrefs
pesticides pesticides:bixafen enrich_references.chebi_xrefs
ppdb ppdb:1250 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11434448 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/22999200 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25146353 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25796526 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27141753 enrich_references.chebi_xrefs
reaxys reaxys:11332859 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2040219 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
5a9e4ccd-5186-48fa-b082-27c6bbd64354 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
5b4a97e2-3ebd-41c9-a749-0ece6cfe40d6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
9764c4a7-3b73-4580-b8de-b834d9e39c67 Environmental → Air → Indoor EF 3.1 kg 4
117017e2-dab6-4880-bf9c-39685f6ad1bb Environmental → Air → Long-term EF 3.1 kg 0
bff782e8-a85c-4f9e-bad2-ccb49e5ff892 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b6a79e70-c136-4c85-82dd-0c3402a5918c Environmental → Air → Unknown EF 3.1 kg 4
712a597a-4fb9-4553-bd80-f981ae0b8303 Environmental → Ground → Agricultural EF 3.1 kg 4
27a2f3b7-b9f2-47e0-926f-8eae3435e64c Environmental → Ground → Non-agricultural EF 3.1 kg 4
7bac2a3ad8acc07be4528f8b9cb9fbcd6bb7d1e9 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
76a925f3-931d-4e94-b17e-41d4725a8062 Environmental → Ground → Unknown EF 3.1 kg 4
1e346bf7-a52d-45e1-bc9c-ea1bf2fe0343 Environmental → Water → Long-term EF 3.1 kg 0
95526123-c806-487d-ab3c-656120925b07 Environmental → Water → Ocean EF 3.1 kg 4
7346869a-09d5-4196-9f11-897a045b5bbd Environmental → Water → Surface water EF 3.1 kg 4
c1488775-475d-4ccf-9eba-49f9ca06bacc Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-cdd3048478cabbb9",
  "prefLabel": [
    {
      "@value": "Bixafen",
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      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1H-Pyrazole-4-carboxamide, N-(3′,4′-dichloro-5-fluoro[1,1′-biphenyl]-2-yl)-3-(difluoromethyl)-1-methyl-",
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        ],
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      }
    },
    {
      "@value": "bixafene",
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    {
      "@value": "N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]-3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide",
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    },
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      "@value": [
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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  "references": [
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