4-Trifluoromethylnicotinamide
Grundinformationen
- CAS
158062-71-6- Standard-SMILES
NC(=O)c1cnccc1C(F)(F)F- InChIKey
JUIWZYBJXUPIKF-UHFFFAOYSA-N- Summenformel
- C7H5F3N2O
- Durchschnittliche Molmasse
- 190,12 g/mol
- Monoisotopische Masse
- 190,03539727
Überblick
Flumetnicam is a pyridinecarboxamide that is nicotinamide substituted by a trifluoromethyl group at position 4. It is a metabolite of flonicamid. It has a role as an insecticide. It is a primary carboxamide, a pyridinecarboxamide and an organofluorine compound. It is functionally related to a nicotinamide.
Namen und Bezeichner
- Bevorzugter Name
- 4-Trifluoromethylnicotinamide
- IUPAC
- 4-(trifluoromethyl)pyridine-3-carboxamide
- Englischer Name
- 4-(Trifluoromethyl)nicotinamide
- Summenformel
- C7H5F3N2O
- Molmasse
- 190.12
Namen und Synonyme
158062-71-64-Trifluoromethylnicotinamide3-Pyridinecarboxamide, 4-(trifluoromethyl)-4-Trifluoromethyl-3-pyridinecarboxamideUNII-4346BHK4MJ4346BHK4MJDTXSID10382187RefChem:100563DTXCID303332124-(Trifluoromethyl)nicotinamide4-(trifluoromethyl)pyridine-3-carboxamidetfna-am
Weitere Namen anzeigen
Nicotinamide Impurity 129TFNA-AM 10.0 μg/ml AcetonitrileTrifluoromethylpyridinecarboxamide24-Trifluoromethylpyridin-3-carboxamide
flumetnicamMFCD001266584-(trifluoromethyl)-3-pyridinecarboxamide4-Trifluoromethylnicotinamide 100 microg/mL in AcetonitrileTFNA-AM StandardA1EPOMaybridge1_0061794-Triuoromethylnicotin amide
Datenbank-Bezeichner
- CAS
158062-71-6- PubChem CID
- 2782643
- DTXSID
DTXSID10382187
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 56 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 204
Experimentelle und physikochemische Eigenschaften
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physikochemische Eigenschaften
- Schmelzpunkt
- 165 °C · 165°C
- Siedepunkt
- 292 · 292.0±40.0 °C(Predicted)
- Dichte
- 1.409 · 1.409±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 14.29 · 14.29±0.50(Predicted)
- Farbe
- White to Off-White
- InChI
- InChI=1S/C7H5F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3H,(H2,11,13)
- InChIKey
- JUIWZYBJXUPIKF-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(C(F)(F)F)=C1C(N)=O
- CAS Datenbank
- 158062 · 158062-71-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302+H312+H332 (93.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 30 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (96.7%)
Sicherheitsdaten
- hs_code
- 2933399990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Anwendungen
Verwenden4-(Trifluoromethyl)nicotinamide (TFNA-AM) is a metabolite of Flonicamid (F405710); a novel insecticide with rapid inhibitory effect against aphid feeding.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
17
Notizen zur Verbindung
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