CAS 125486-96-6 2-(Trimethylsilyl)ethane-1-sulfonamide (HCID 11008553)

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Grundinformationen

CAS: 125486-96-6
Standard-SMILES: C[Si](C)(C)CCS(N)(=O)=O
InChIKey: MZASHBBAFBWNFL-UHFFFAOYSA-N
Summenformel: C5H15NO2SSi
Durchschnittliche Molmasse: 181,33 g/mol
Monoisotopische Masse: 181,05927643

Namen und Bezeichner

Bevorzugter Name: 2-(Trimethylsilyl)ethane-1-sulfonamide
IUPAC: 2-trimethylsilylethanesulfonamide
Englischer Name: 2-(Trimethylsilyl)ethanesulfonamide, 90%
Summenformel: C5H15NO2SSi
Molmasse: 181.33

Namen und Synonyme

2-(trimethylsilyl)ethane-1-sulfonamideRefChem:462633626-938-62-(Trimethylsilyl)ethanesulfonamide125486-96-62-trimethylsilylethanesulfonamideEthanesulfonamide, 2-(trimethylsilyl)-MFCD09265152C5H15NO2SSi2-(TRIMETHYLSILYL)ETHANESULFONAMIDE, 90per centSCHEMBL287532-trimethylsilylethylsulfonamide

Weitere Namen anzeigen

SES-NH22-Trimethylsilylethanesulfonyl amidebeta-(Trimethylsilyl)ethanesulfonamide2-(Trimethylsilyl)ethanesulfonamide 90%2-(trimethylsilyl)ethane-1-sulfonamide - [T81987]2-(TRIMETHYLSILYL)ETHANESULFONAMIDE, 90% ISO 9001：2015 REACH

DTXSID10451665MZASHBBAFBWNFL-UHFFFAOYSA-N2-(trimethylsilyl)-ethanesulfonamideAKOS015908466CS-W010749PB478122-(Trimethylsilyl)ethanesulfonamide, 90%AS-54103

Datenbank-Bezeichner

CAS: 125486-96-6
PubChem CID: 11008553
DTXSID

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 68,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 10
Formalladung: 0
Komplexität: 187

Physikochemische Eigenschaften

Schmelzpunkt: 81 · 81-87 °C
Siedepunkt: 253 · 253.0±42.0 °C(Predicted)
Dichte: 1.057 · 1.057±0.06 g/cm3(Predicted)
storage temp.: 0 · Store at 0-8 °C
Löslichkeit: Soluble in benzene, chloroform, dichloromethane, ether, methanol and toluene.
pka: 10.99 · 10.99±0.60(Predicted)
Aggregatzustand: solid
InChI: 1S/C5H15NO2SSi/c1-10(2,3)5-4-9(6,7)8/h4-5H2,1-3H3,(H2,6,7,8)
InChIKey: MZASHBBAFBWNFL-UHFFFAOYSA-N
SMILES: C[Si](C)(C)CCS(N)(=O)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3335
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-Trimethylsilylethanesulfonyl amide is a useful reagent for introduction of a SES-protected nitrogen functionality, which can be cleaved with fluoride ion.

Darstellung · 1 Eintrag

synthetische2-(Trimethylsilyl)ethanesulfonamide is prepared by reaction of 2-(trimethylsilyl) ethanesulfonyl chloride (accessible from the commercially available sodium salt of the corresponding sulfonic acid or starting from vinyl trimethylsilane) with gaseous ammonia (eq 1).