1-(Ethanesulfonyl)piperazine

HCID 415294CAS 62937-96-6

Substructure search Find similar structures

Basic information

Standard SMILES: CCS(=O)(=O)N1CCNCC1
InChIKey: BIYGAOBOLDXNHM-UHFFFAOYSA-N
Molecular formula: C6H14N2O2S
Average molar mass: 178.26 g/mol
Monoisotopic mass: 178.07759869

Names & identifiers

Preferred name: 1-(Ethanesulfonyl)piperazine
IUPAC: 1-ethylsulfonylpiperazine
English name: 1-ETHYLSULFONYL-PIPERAZINE
Molecular formula: C6H14N2O2S
Molecular weight: 178.25

Names & synonyms

62937-96-61-(Ethanesulfonyl)piperazineDTXSID50978765RefChem:427755DTXCID001406075625-313-51-(ethylsulfonyl)piperazine1-ethylsulfonylpiperazine1-Ethylsulfonyl-piperazine1-(ethylsulphonyl)piperazine1-Ethanesulfonyl-piperazine1-ethylsulfonyl piperazine

Show more names

AKOS B020880RARECHEM AX KI 1044TIMTEC-BB SBB007119ART-CHEM-BB B0208801-ETHYLSULFONYL-PIPERAZINE 95%Piperazine, 1-(ethylsulfonyl)-1-(Ethylsulphonyl)piperazine95%

MFCD020935281-ethanesulfonylpiperazine(ethylsulfonyl)piperazineEN300-60935ethanesulfethanesulfonylpiperazineBAS 03362899Ethanesulfonyl-piperazine

Database identifiers

CAS: 62937-96-6
PubChem CID: 415294
DTXSID: DTXSID50978765
EC Number: 625-313-5
Nikkaji: J1.607.106D

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 57.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 201

Physicochemical properties

Melting point: 69 · 69-72 °C
Boiling point: 110 · 110-112°C/0.1mm
Density: 1.24 · 1.24±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 pale brown
InChI: 1S/C6H14N2O2S/c1-2-11(9,10)8-5-3-7-4-6-8/h7H,2-6H2,1H3
InChIKey: BIYGAOBOLDXNHM-UHFFFAOYSA-N
SMILES: CCS(=O)(=O)N1CCNCC1
CAS DataBase Reference: 62937 · 62937-96-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 2 · 2
Hazard Note: Harmful
HS Code: 2933599590 · 2933599590
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.