2-(Benzenesulfonyl)-3-phenyloxaziridine

HCID 320405CAS 63160-13-4
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Grundinformationen

Standard-SMILES
O=S(=O)(c1ccccc1)N1OC1c1ccccc1
InChIKey
MKHGVMIXRPGHOO-UHFFFAOYSA-N
Summenformel
C13H11NO3S
Durchschnittliche Molmasse
261,3 g/mol
Monoisotopische Masse
261,04596439

Namen und Bezeichner

Bevorzugter Name
2-(Benzenesulfonyl)-3-phenyloxaziridine
IUPAC
2-(benzenesulfonyl)-3-phenyloxaziridine
Englischer Name
3-Phenyl-2-(phenylsulfonyl)-1,2-oxaziridine
Summenformel
C13H11NO3S
Molmasse
261.3

Namen und Synonyme

2-(benzenesulfonyl)-3-phenyloxaziridineRefChem:459693862-503-93-Phenyl-2-(phenylsulfonyl)-1,2-oxaziridine63160-13-4Davis oxaziridineMFCD039318642-(Phenylsulfonyl)-3-phenyloxaziridine2-(benzenesulfonyl)-3-phenyl-oxaziridine80997-75-7NSC 2681123-Phenyl-2-(phenylsulfonyl)-oxaziridine
Weitere Namen anzeigen
2-OXAZIRIDINE3-PHENYL-2-(PHENYLSULFONYL)-1N-(Phenylsulfonyl)phenyloxaziridine3-Phenyl-N-phenylsulfonyloxaziridineOxaziridine, 3-phenyl-2-(phenylsulfonyltrans-2-(Phenylsulfonyl)-3-phenyloxyaziridineTRANS-2-(PHENYL SULFONYL)-3-PHENYL OXAZIRIDINE
3-phenyl-2-(phenylsulfonyl)OxaziridineDavis reagentOxaziridine, 3-phenyl-2-(phenylsulfonyl)-2-phenylsulfonyl-3-phenyloxaziridineNSC377129SCHEMBL113055SCHEMBL2338341SCHEMBL13663248

Datenbank-Bezeichner

CAS
63160-13-4
PubChem CID
320405
DTXSID
DTXSID10313234
EC Number
862-503-9
Nikkaji
J274.580A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,5
Polarare Oberfläche (TPSA)
58,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
3
Schwere Atome
18

Physikochemische Eigenschaften

Schmelzpunkt
96 · 96-97 °C
Siedepunkt
394.4 · 394.4±45.0 °C(Predicted)
Dichte
1.398 · 1.398±0.06 g/cm3(Predicted)
storage temp.
-20 °C · -20°C Freezer
Löslichkeit
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Sonicated)
Aggregatzustand
Solid

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 2 reports by companies from 1 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. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code
2935909099

Chemie und Industrie

Anwendungen

Verwenden3-Phenyl-2-(phenylsulfonyl)-1,2-oxaziridine, is an oxidizing agent used in the preparation of wide variety of pharmaceutical compounds.

Darstellung · 1 Eintrag

synthetische3-PHENYL-2-(PHENYLSULFONYL)-1,2-OXAZIRIDINE can be readily prepared on a 100 g scale in 88% yield via oxidation of N-benzylidenebenzenesulfonamide with buffered m-Chloroperbenzoic Acid or more conveniently with Potassium Monoperoxysulfate (Oxone). This Baeyer-Villiger type of oxidation of sulfonimine affords only the trans-oxaziridine. A number of other (±)-trans-2-(arylsulfonyl)-3- aryloxaziridines (2) can also be prepared by these methods.

Anbieter50 Anbieter

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海凛南医药科技有限公司15900633975;13262632028
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
西安祥源植化生物技术有限公司13991954170 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

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