1-(4-Chlorobenzoyl)piperazine

HCID 4101484CAS 54042-47-6

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Grundinformationen

Standard-SMILES: O=C(c1ccc(Cl)cc1)N1CCNCC1
InChIKey: IHSZLKAMJQHQOS-UHFFFAOYSA-N
Summenformel: C11H13ClN2O
Durchschnittliche Molmasse: 224,68 g/mol
Monoisotopische Masse: 224,0716407

Namen und Bezeichner

Bevorzugter Name: 1-(4-Chlorobenzoyl)piperazine
IUPAC: (4-chlorophenyl)-piperazin-1-ylmethanone
Englischer Name: (4-Chlorophenyl)(piperazin-1-yl) methanone
Summenformel: C11H13ClN2O
Molmasse: 224.69

Namen und Synonyme

1-(4-chlorobenzoyl)piperazineRefChem:425180827-755-654042-47-6(4-CHLOROPHENYL)(PIPERAZIN-1-YL)METHANONE(4-chlorophenyl)-piperazin-1-ylmethanone(4-CHLOROPHENYL)(PIPERAZIN-1-YL) METHANONEMFCD01050442(4-chlorophenyl)-piperazin-1-yl-methanoneOprea1_7433961-(p-chlorobenzoyl) piperazineSCHEMBL1256167

Weitere Namen anzeigen

Methanone, (4-chlorophenyl)-1-piperazinyl-

SCHEMBL2092237SCHEMBL16598993DTXSID70399332IHSZLKAMJQHQOS-UHFFFAOYSA-NGS3250STL183438AKOS000130679BAS 06481308

Datenbank-Bezeichner

CAS: 54042-47-6
PubChem CID: 4101484
DTXSID: DTXSID70399332
EC Number: 827-755-6
Nikkaji: J1.298.399I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 32,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 15
Formalladung: 0
Komplexität: 221

Physikochemische Eigenschaften

Schmelzpunkt: 200 °C · 200 °C
Siedepunkt: 384 · 384.0±37.0 °C(Predicted)
Dichte: 1.231 · 1.231±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 8.32 · 8.32±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 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.