1-(Ethanesulfonyl)piperazine
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Basic information
- CAS
62937-96-6- 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 propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 57.8 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- hs_code
- 2933599590
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_note
- Harmful
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
44 records
Compound notes
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