1-(Methylsulfonyl)piperazine

HCID 709161CAS 55276-43-2

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CS(=O)(=O)N1CCNCC1
InChIKey: ZZAKLGGGMWORRT-UHFFFAOYSA-N
Summenformel: C5H12N2O2S
Durchschnittliche Molmasse: 164,23 g/mol

Namen und Bezeichner

Bevorzugter Name: 1-(Methylsulfonyl)piperazine
IUPAC: 1-methylsulfonylpiperazine
Englischer Name: 1-METHANESULFONYL-PIPERAZINE
Summenformel: C5H12N2O2S
Molmasse: 164.23

Namen und Synonyme

1-(methylsulfonyl)piperazineRefChem:428015675-149-355276-43-21-Methanesulfonylpiperazine1-Methanesulfonyl-piperazine1-methylsulfonylpiperazine1-Methylsulfonyl-piperazine1-(methylsulphonyl)piperazineMFCD02153225C5H12N2O2S(methylsulfonyl)piperazine

Weitere Namen anzeigen

AKOS B0039611-mesylpiperazineTIMTEC-BB SBB007001ART-CHEM-BB B003961ART-CHEM-BB B022241IFLAB-BB F2124-0764CHEMBRDG-BB 30039611-METHYLSULPHONYLPIPERAZINE

1-methanesulfonyl piperazineOprea1_0165141-methane sulfonyl piperazine1-methane sulfonyl pyperazine1-(methylsulfonyl) piperazineSTK397832CS-W002889BP-11109

Datenbank-Bezeichner

CAS: 55276-43-2
PubChem CID: 709161
EC Number: 675-149-3
Nikkaji: J2.448.539K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,1
Polarare Oberfläche (TPSA): 57,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 188

Physikochemische Eigenschaften

Schmelzpunkt: 99 °C · 99 °C
Siedepunkt: 280.6 · 280.6±50.0 °C(Predicted)
Dichte: 1.29 · 1.29±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 7.78 · 7.78±0.10(Predicted)
Aggregatzustand: Solid
Farbe: White to Almost white
Wasserlöslichkeit: Slightly soluble in water.
CAS Datenbank: 55276 · 55276-43-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.