1-(Benzenesulfonyl)piperazine

HCID 808712CAS 14172-55-5

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Grundinformationen

Standard-SMILES: O=S(=O)(c1ccccc1)N1CCNCC1
InChIKey: NANQJUFFKXWVJR-UHFFFAOYSA-N
Summenformel: C10H14N2O2S
Durchschnittliche Molmasse: 226,3 g/mol
Monoisotopische Masse: 226,07759887

Namen und Bezeichner

Bevorzugter Name: 1-(Benzenesulfonyl)piperazine
IUPAC: 1-(benzenesulfonyl)piperazine
Englischer Name: 1-Benzenesulfonyl-piperazine
Summenformel: C10H14N2O2S
Molmasse: 226.3

Namen und Synonyme

1-(benzenesulfonyl)piperazineRefChem:427081675-198-01-(phenylsulfonyl)piperazine14172-55-51-Benzenesulfonyl-piperazinePiperazine, 1-(phenylsulfonyl)-1-Benzenesulfonylpiperazine1-Phenylsulfonyl-piperazine1-benzenesulfonyl piperazineMFCD021828041-(phenylsulphonyl)piperazine

Weitere Namen anzeigen

AKOS B003962AKOS MSC-0756AKOS BBS-00003688IFLAB-BB F1986-0009CHEMBRDG-BB 3003962ART-CHEM-BB B003962TIMTEC-BB SBB009226SALOR-INT L204471-1EA

1-Phenyl sulfonyl piperazine(phenylsulfonyl)piperazineF1986-0009Piperazine,1-(phenylsulfonyl)-Enamine_004678benzenesulfonyl piperazine4-Phenylsulfonylpiperazine4-benzenesulfonylpiperazine

Datenbank-Bezeichner

CAS: 14172-55-5
PubChem CID: 808712
DTXSID: DTXSID00355603
ChEMBL: CHEMBL1877230
EC Number: 675-198-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 57,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 285

Experimentelle und physikochemische Eigenschaften

Solubility26.6 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt: 111 · 111-112°C
Siedepunkt: 377.4 · 377.4±52.0 °C(Predicted)
Dichte: 1.251 · 1.251±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 7.86 · 7.86±0.10(Predicted)
CAS Datenbank: 14172 · 14172-55-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): 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, 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 3 reports by companies from 3 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)；Acute Tox. 4 (33.3%)；STOT SE 3 (66.7%)