1-(Methylsulfonyl)piperazine

HCID 709161CAS 55276-43-2

Substructure search Find similar structures

Basic information

Standard SMILES: CS(=O)(=O)N1CCNCC1
InChIKey: ZZAKLGGGMWORRT-UHFFFAOYSA-N
Molecular formula: C5H12N2O2S
Average molar mass: 164.23 g/mol

Names & identifiers

Preferred name: 1-(Methylsulfonyl)piperazine
IUPAC: 1-methylsulfonylpiperazine
English name: 1-METHANESULFONYL-PIPERAZINE
Molecular formula: C5H12N2O2S
Molecular weight: 164.23

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: -1.1
Topological polar surface area: 57.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 188

Physicochemical properties

Melting point: 99 °C · 99 °C
Boiling point: 280.6 · 280.6±50.0 °C(Predicted)
Density: 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)
form: Solid
color: White to Almost white
Water Solubility: Slightly soluble in water.
CAS DataBase Reference: 55276 · 55276-43-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-36/37/39-24/25-23
HazardClass: IRRITANT
HS Code: 29339900 · 29339900

Safety & regulation

GHS classification

GHS Classification · 4 items

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.