Grundinformationen
- Standard-SMILES
NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(COCC(F)(F)C(F)(F)F)c2)n1- InChIKey
AOQMRUTZEYVDIL-UHFFFAOYSA-N- Summenformel
- C19H14ClF5N4O2
- Durchschnittliche Molmasse
- 460,8 g/mol
- Monoisotopische Masse
- 460,07254447
Überblick
Flupoxam is a benzyl ether.
Namen und Bezeichner
- Bevorzugter Name
- Flupoxam
- IUPAC
- 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide
- Englischer Name
- 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2 ,4-triazole-3-carboxamide
- Summenformel
- C19H14ClF5N4O2
- Molmasse
- 460.79
Namen und Synonyme
FlupoxamFlupoxam [ISO:BSI]UNII-G7Q93JFI8DG7Q93JFI8DFLUPOXAM [ISO]1-(4-chloro-3-((2,2,3,3,3-pentafluoropropoxy)methyl)phenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxamideDTXSID7057943EC 411-750-71-{4-chloro-3-[(2,2,3,3,3-pentafluoropropoxy)methyl]phenyl}-5-phenyl-1H-1,2,4-triazole-3-carboxamide1-(4-Chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxamide1-[4-CHLORO-3-((2,2,3,3,3-PENTAFLUOROPROPOXY)METHYL)PHENYL]-5-PHENYL-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1H-1,2,4-triazole-3-carboxamide
Weitere Namen anzeigen
Flupoxam StandardFlupoxam in methanolFlupoxam 100 μg/mL in Acetonitrile1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2 ,4-triazole-3-carboxamide1H-1,2,4-Triazole-3-carboxamide, 1-[4-chloro-3-[(2,2,3,3,3-pentafluoropropoxy)methyl]phenyl]-5-phenyl-
1H-1,2,4-Triazole-3-carboxamide, 1-(4-chloro-3-((2,2,3,3,3-pentafluoropropoxy)methyl)phenyl)-5-phenyl-RefChem:141023DTXCID5031711411-750-7119126-15-71-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamideKNW-739MON-18500
Datenbank-Bezeichner
- CAS
119126-15-7- PubChem CID
- 86353
- DTXSID
DTXSID7057943- ChEBI
CHEBI:81818- UNII
- G7Q93JFI8D
- EC Number
- 411-750-7
- Nikkaji
- J667.924B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,6
- Polarare Oberfläche (TPSA)
- 83 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 621
Experimentelle und physikochemische Eigenschaften
PFAS
PFAS -> Other/unspecified
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> Other/unspecified
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
LogP3.27
Melting Point144 - 148 °C
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 151 ℃ · approximate 151℃
- Siedepunkt
- 555.7 · 555.7±60.0 °C(Predicted)
- Dichte
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 14.35 · 14.35±0.50(Predicted)
- Henry's Law Constant
- 1.1 · 1.1×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- EPA chemische Informationen
- Flupoxam (119126-15-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
2002/2076
Status: No longer Valid Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2481
Hazard Classes and Categories
Hazardous to the aquatic environment (chronic) - category 2
Aquatic Chronic 2
Sicherheitsdaten
- risk_code
- 51/53
- hazard_code
- N
- safety_code
- 61
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Anwendungen
VerwendenFlupoxam is a pesticide residue in food and vegetables. It also functions as a herbicide for agricultural purposes.
Anbieter4 Anbieter
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