Penflufen
Grundinformationen
- CAS
494793-67-8- Standard-SMILES
Cc1nn(C)c(F)c1C(=O)Nc1ccccc1C(C)CC(C)C- InChIKey
GOFJDXZZHFNFLV-UHFFFAOYSA-N- Summenformel
- C18H24FN3O
- Durchschnittliche Molmasse
- 317,4 g/mol
- Monoisotopische Masse
- 317,19034061
Überblick
5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide is an aromatic amide obtained by formal condensation of the carboxy group of 5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid with the amino group of 2-(4-methylpentan-2-yl)aniline. It is a member of pyrazoles, an organofluorine compound and an aromatic amide.
Namen und Bezeichner
- Bevorzugter Name
- Penflufen
- IUPAC
- 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
- Englischer Name
- penflufen
- Summenformel
- C18H24FN3O
- Molmasse
- 317.4
Namen und Synonyme
Penflufen494793-67-8Pyflufen8252E275KT5-Fluoro-1,3-dimethyl-N-(2-(1,3-dimethylbutyl)phenyl)-1H-pyrazole-4-carboxamideN-(2-(1,3-Dimethylbutyl)phenyl)-1,3-dimethyl-5-fluoro-1H-pyrazole-4-carboxamideDTXSID9058107RefChem:859404DTXCID2031875CHEBI:83133Penflufen, (+/-)-N-[2-(1,3-dimethylbutyl)phenyl]-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide
Weitere Namen anzeigen
Evergol?Penflufen SolutionPenflufen in AcetonePenflufen in AcetonitrilePenflufen@100 μg/mL in MethanolPenflufen 100 μg/mL in Acetonitrile2′-[(RS)-1,3-Dimethylbutyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxanilide1H-Pyrazole-4-carboxamide, N-[2-(1,3-dimethylbutyl)phenyl]-5-fluoro-1,3-dimethyl-
UNII-8252E275KT5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide2'-((RS)-1,3-dimethylbutyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxanilide5-Fluoro-1,3-dimethyl-N-(2-(4-methylpentan-2-yl)phenyl)-1H-pyrazole-4-carboxamideEvergolC18H24FN3O5-Fluoro-1,3-dimethyl-N-[2-(1,3-dimethylbutyl)phenyl]-1H-pyrazole-4-carboxamide; Cerenturf Forte; Emesto; N-[2-(1,3-Dimethylbutyl)phenyl]-1,3-dimethyl-5-fluoro-1H-pyrazole-4-carboxamide; Pyflufen;
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,4
- Polarare Oberfläche (TPSA)
- 46,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 404
Experimentelle und physikochemische Eigenschaften
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
Fungicides
Pesticide (Penflufen) -> USDA PDB
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Siedepunkt
- 381 · 381.0±42.0 °C(Predicted)
- Dichte
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- Löslichkeit
- Chloroform (Slightly), Methanol (Very Slightly)
- pka
- 11.69 · 11.69±0.70(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to off-white
- BRN
- 12363231 · 12363231
- Henry's Law Constant
- 3.2 · 3.2×104 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- Major Application
- agricultureenvironmental
- InChI
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H351: Suspected of causing cancer [Warning Carcinogenicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Warning
H351 (62.9%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Regulation (EC) No 1107/2009 (amended)
Penflufen is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
Reg. (EU) 2018/155, Reg. (EU) 2020/2007, Reg. (EU) 2022/1468, Reg. (EU) 2023/1447, Reg. (EU) No 1031/2013, Reg.(EU) No 2018/185
Hazard Classes and Categories
Carc. 2 (62.9%)
Carcinogenicity - category 2
Carcinogenicity - Category 2
Carc. 2
Toxikologische Informationen
RAIS Toxicity Values
0.5
OPP
0.38
OPP
EPA Human Health Benchmarks for Pesticides
Penflufen
0.5
3000
Children
0.38
2200
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 50/53
- hazard_code
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationFungicides
Anwendungen
VerwendenPenflufen fungicidal compounds for controlling or preventing infestation of plants by phytopathogenic microorganisms.
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