1-(4-(Methylsulfonyl)phenyl)piperazine

HCID 735904

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Basic information

CAS: 187669-60-9
Standard SMILES: CS(=O)(=O)c1ccc(N2CCNCC2)cc1
InChIKey: KNQFDOLIXOOIGX-UHFFFAOYSA-N
Molecular formula: C11H16N2O2S
Average molar mass: 240.32 g/mol
Monoisotopic mass: 240.09324875

Names & identifiers

Preferred name: 1-(4-(Methylsulfonyl)phenyl)piperazine
IUPAC: 1-(4-methylsulfonylphenyl)piperazine
English name: 1-[4-(METHYLSULFONYL)PHENYL]PIPERAZINE
Molecular formula: C11H16N2O2S
Molecular weight: 240.32

Names & synonyms

1-[4-(methylsulfonyl)phenyl]piperazine1-(4-(methylsulfonyl)phenyl)piperazineRefChem:424466674-407-2187669-60-91-(4-methylsulfonylphenyl)piperazine1-(4-methanesulfonylphenyl)piperazinePiperazine,1-[4-(methylsulfonyl)phenyl]-MFCD036486011-(4-methanesulfonyl-phenyl)-piperazine1-[4-(methylsulphonyl)phenyl]piperazineMixCom4_000241

Show more names

IDI1_0019851-(4-mesylphenyl)piperazine1-(4-methylsulfonylphenyl)azine1-(4-Methylsulfonyl)phenyl]piperizineMethyl 4-(piperazin-1-yl)phenyl sulphone1-[4-(Methylsulphonyl)phenyl]piperazine 95+%

US7Peakdale2_000513Piperazine, 1-[4-(methylsulfonyl)phenyl]-SCHEMBL532144CHEMBL4543970DTXSID20352876KNQFDOLIXOOIGX-UHFFFAOYSA-NBDBM496663

Database identifiers

CAS: 187669-60-9
PubChem CID: 735904
DTXSID: DTXSID20352876
ChEMBL: CHEMBL4543970
EC Number: 674-407-2

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: 16
Formal charge: 0
Complexity: 309

Physicochemical properties

Melting point: 136 · 136~138℃
Boiling point: 136 · 136~138℃
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: solid
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code: 2935909099 · 2935909099

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2935909099
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313