1-Acetyl-4-(2',4'-difluorobenzoyl)piperidine

HCID 2740707

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Grundinformationen

CAS: 84162-82-3
Standard-SMILES: CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1
InChIKey: UGPWQEIGJWVJDR-UHFFFAOYSA-N
Summenformel: C14H15F2NO2
Durchschnittliche Molmasse: 267,27 g/mol
Monoisotopische Masse: 267,10708505

Namen und Bezeichner

Bevorzugter Name: 1-Acetyl-4-(2',4'-difluorobenzoyl)piperidine
IUPAC: 1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone
Englischer Name: 1-Acetyl-4-(2,4-difluorobenzoyl)piperidine
Summenformel: C14H15F2NO2
Molmasse: 267.27

Namen und Synonyme

1-ACETYL-4-(2',4'-DIFLUOROBENZOYL)PIPERIDINERefChem:428995691-183-184162-82-31-(4-(2,4-difluorobenzoyl)piperidin-1-yl)ethanone4-(2',4'-Difluorobenzoyl)-1-acetylpiperidine1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethan-1-one1-Acetyl-4-(2,4-difluorobenzoyl)piperidine(1-acetylpiperidin-4-yl)(2,4-difluorophenyl)methanoneMFCD001794401-[4-(2,4-difluoro-benzoyl)-piperidin-1-yl]-ethanone

Weitere Namen anzeigen

Paliperidone Acetyl Impurity1-[4-(2,4-difluorobenzoyl)-1-piperidinyl]-1-ethanoneEthanone, 1-[4-(2,4-difluorobenzoyl)-1-piperidinyl]-1-[4-(2,4-Difluorobenzoyl)piperidin-1-yl]ethan-1-one - [D94738]1-[4-(2,4-Difluorobenzoyl)piperidin-1-yl]ethan-1-one (Risperidone Impurity)

C14H15F2NO2Risperidone Difluoro Acetyl Impurity4-(2,4-Difluorobenzoyl)-N-acetylpiperidine1-[4-(2,4-difluorobenzoyl)-1-piperidyl]ethanone1-(4-(2,4-difluorobenzoyl)piperidin-1-yl)ethan-1-oneRisperidone RC 2F9995-0071Risperidone Impurity 19

Datenbank-Bezeichner

CAS: 84162-82-3
PubChem CID: 2740707
DTXSID: DTXSID70372387
EC Number: 691-183-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 37,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 19
Formalladung: 0
Komplexität: 353

Physikochemische Eigenschaften

Schmelzpunkt: 97 · 97-98℃
Siedepunkt: 408.1 · 408.1±45.0 °C(Predicted)
Dichte: 1.247 · 1.247±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -1.67 · -1.67±0.40(Predicted)
CAS Datenbank: 84162 · 84162-82-3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315

Chemie und Industrie

Anwendungen

Verwenden1-[4-(2,4-Difluorobenzoyl)piperidin-1-yl]ethanone is a chemical reagent used in the synthesis of antiproliferative agents as well as for piperidines displaying 5-HT2 antagonist activity.