CAS 14172-55-5 1-(Benzenesulfonyl)piperazine (HCID 808712)

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Basic information

CAS: 14172-55-5
Standard SMILES: O=S(=O)(c1ccccc1)N1CCNCC1
InChIKey: NANQJUFFKXWVJR-UHFFFAOYSA-N
Molecular formula: C10H14N2O2S
Average molar mass: 226.3 g/mol
Monoisotopic mass: 226.07759887

Names & identifiers

Preferred name: 1-(Benzenesulfonyl)piperazine
IUPAC: 1-(benzenesulfonyl)piperazine
English name: 1-Benzenesulfonyl-piperazine
Molecular formula: C10H14N2O2S
Molecular weight: 226.3

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 57.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 285

Experimental & physicochemical properties

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

Physicochemical properties

Melting point: 111 · 111-112°C
Boiling point: 377.4 · 377.4±52.0 °C(Predicted)
Density: 1.251 · 1.251±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 7.86 · 7.86±0.10(Predicted)
CAS DataBase Reference: 14172 · 14172-55-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 262 · P262-P280-P305+P351+P338-P304+P340-P403+P233-P501
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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%)