Grundinformationen
- Standard-SMILES
C[Si](C)(C)OC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCCN1- InChIKey
MOHRGTBNEJKFMB-LJQANCHMSA-N- Summenformel
- C24H23F12NOSi
- Durchschnittliche Molmasse
- 597,5 g/mol
- Monoisotopische Masse
- 597,1357288
Namen und Bezeichner
- Bevorzugter Name
- (R)-alpha,alpha-Bis(3,5-bis(trifluoromethyl)phenyl)-2-pyrrolidinemethanol trimethylsilyl ether
- IUPAC
- [bis[3,5-bis(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane
- Englischer Name
- Pyrrolidine, 2-[bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl]-, (2R)-
- Summenformel
- C24H23F12NOSi
- Molmasse
- 597.51
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
908303-26-4- PubChem CID
- 16218311
- DTXSID
DTXSID20584872- EC Number
- 625-410-2
- Nikkaji
- J2.863.443I
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 21,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 14
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 39
- Formalladung
- 0
- Komplexität
- 737
Physikochemische Eigenschaften
- Schmelzpunkt
- 46 · 46-55°C
- Siedepunkt
- 382.4 · 382.4±37.0 °C(Predicted)
- Dichte
- 1.319 · 1.319±0.06 g/cm3(Predicted)
- Flammpunkt
- 110 ℃ · >110℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- Aggregatzustand
- Solid
- pka
- 9.34 · 9.34±0.10(Predicted)
- Farbe
- White to Off-White
- InChIKey
- MOHRGTBNEJKFMB-LJQANCHMSA-N
- SMILES
- C[Si](C)(C)OC([C@H]1CCCN1)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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 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
Sicherheitsdaten
- wgk
- 3
- 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
VerwendenCatalyst involved in:Cyclocondensation of enals with methylenepyrrolidinesOrganocatalytic additions of β-ketosulfoxides to conjugated aldehydesOrganocatalytic aza-Michael reactionsStereoselective propargylic alkylation of propargylic esters with aldehydesEpoxidation or aziridination of α,β-unsaturated aldehydes and Feist-Benary reactions of 1,3-dicarbonyls
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