(4S,5S)-2-Allyl-2-chloro-3,4-dimethyl-5-phenyl-1-oxa-3-aza-2-silacyclopentane

HCID 10333223

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Grundinformationen

CAS: 447440-43-9
Standard-SMILES: C=CC[Si]1(Cl)O[C@@H](c2ccccc2)[C@H](C)N1C
InChIKey: XHCRAANIMMYPDV-APBZJUGRSA-N
Summenformel: C13H18ClNOSi
Durchschnittliche Molmasse: 267,82 g/mol
Monoisotopische Masse: 267,0846184

Namen und Bezeichner

Bevorzugter Name: (4S,5S)-2-Allyl-2-chloro-3,4-dimethyl-5-phenyl-1-oxa-3-aza-2-silacyclopentane
IUPAC: (4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine
Englischer Name: (s,s)-2-ALLYL-2-CHLORO-3,4-DIMETHYL-5-PHENYL-[1,3,2]-OXAZASILOLIDINE
Summenformel: C13H18ClNOSi
Molmasse: 267.83

Namen und Synonyme

(4S,5S)-2-ALLYL-2-CHLORO-3,4-DIMETHYL-5-PHENYL-1-OXA-3-AZA-2-SILACYCLOPENTANERefChem:403493684-530-3447440-43-9(4S,5S)-2-Allyl-2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazasilolidine(4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine(4S,5S)-2-Chloro-3,4-dimethyl-5-phenyl-2-(prop-2-en-1-yl)-1,3,2-oxazasilolidineC13H18ClNOSiSCHEMBL2682527DTXSID10438299XHCRAANIMMYPDV-APBZJUGRSA-NAKOS025295337

Weitere Namen anzeigen

1-Oxa-3-aza-2-silacyclopentane,2-chloro-3,4-dimethyl-5-pheny...(s,s)-2-ALLYL-2-CHLORO-3,4-DIMETHYL-5-PHENYL-[1,3,2]-OXAZASILOLIDINE1-Oxa-3-aza-2-silacyclopentane, 2-chloro-3,4-dimethyl-5-phenyl-2-(2-propen-1-yl)-, (4S,5S)-(4S,5S)-2-Allyl-2-chloro-3,4-dimethyl-5-phenyl-1-oxa-3-aza-2-silacyclopentane, CAS 447440-43-9

DB-200323(4s, 5s)-2-allyl-2-chloro-3,4-dimethyl-5-phenyl-[1,3,2]oxazasilolidine(4S,5S)-2-Allyl-2-chloro-3,4-dimethyl-5-phenyl-[1,3,2]oxazasilolidine

Datenbank-Bezeichner

CAS: 447440-43-9
PubChem CID: 10333223
DTXSID: DTXSID10438299
EC Number: 684-530-3
Nikkaji: J1.762.979D

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 12,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 17
Formalladung: 0
Komplexität: 283

Physikochemische Eigenschaften

Dichte: 1.095 g/mL · 1.095 g/mL at 25 °C
Brechungsindex: 20 · n20/D1.517
Flammpunkt: 38 ℃ · 38℃
pka: 4.43 · 4.43±0.60(Predicted)
Aggregatzustand: liquid
Wichte: 1.01 · 1.01
Siedepunkt: 120 °C/5 · 120°C/5 mmHg
InChI: 1S/C13H18ClNOSi/c1-4-10-17(14)15(3)11(2)13(16-17)12-8-6-5-7-9-12/h4-9,11,13H,1,10H2,2-3H3/t11-,13+,17/m0/s1
InChIKey: XHCRAANIMMYPDV-APBZJUGRSA-N
SMILES: C[C@H]1[C@@H](O[Si](Cl)(CC=C)N1C)c2ccccc2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H261 (100%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases]；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]

P210, P231+P232, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P402+P404, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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 CategoriesFlam. Liq. 3 (100%)；Water-react. 2 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3132 / PGII
risk_code: 10-15-36/37/38
hazard_code: F,Xi
safety_code: 26
Speicherklasse: 4.3 - Hazardous materials which set free flammable gases upon contact with water
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3Water-react 2

Chemie und Industrie

Anwendungen

VerwendenLeighton′s Strained Silacycles: Powerful Enantioselective Allylation ReagentsPractical, enantioselective allylation of acylhydrazonesEnantioselective allylation of ketimines: synthesis of tertiary carbinamines