tert-Butyldimethylsilyltrifluormethansulfonat
tert-Butyldimethylsilyl trifluoromethanesulphonate
Grundinformationen
- CAS
69739-34-0- Standard-SMILES
CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F- InChIKey
WLLIXJBWWFGEHT-UHFFFAOYSA-N- Summenformel
- C7H15F3O3SSi
- Durchschnittliche Molmasse
- 264,34 g/mol
- Monoisotopische Masse
- 264,04632653
Namen und Bezeichner
- Bevorzugter Name
- tert-Butyldimethylsilyl trifluoromethanesulphonate
- IUPAC
- [tert-butyl(dimethyl)silyl] trifluoromethanesulfonate
- Lokaler Name
- tert-Butyldimethylsilyltrifluormethansulfonat
- Englischer Name
- Trifluoromethanesulfonic acid tert-butyldimethylsilyl ester
- Summenformel
- C7H15F3O3SSi
- Molmasse
- 264.34
Namen und Synonyme
tert-Butyldimethylsilyl trifluoromethanesulphonateMethanesulfonic acid, trifluoro-, (1,1-dimethylethyl)dimethylsilyl esterEINECS 274-102-0DTXSID50220034(1,1-Dimethylethyl)dimethylsilyl 1,1,1-trifluoromethanesulfonateRefChem:896565DTXCID50142525274-102-069739-34-0Tert-butyldimethylsilyl trifluoromethanesulfonateTBDMS triflateTrifluoromethanesulfonic Acid tert-Butyldimethylsilyl Ester
Weitere Namen anzeigen
TBS-OTFTBS Triflatetert-butyldimethylsilyl esterT-BUTYLDIMETHYLSILYL TRIFLUOROMETHANESULFONATETBMDS-OTF
t-Butyldimethylsilyl triflatetert-Butyldimethylsilyl Triflate[tert-butyl(dimethyl)silyl] trifluoromethanesulfonateMFCD00000405TBDMS-OTft-Butyldimethylsilyltrifluoromethanesulfonatetert-Butyldimethylsilyltrifluoromethanesulfonatet-Butylmethylsilyl triflate
Datenbank-Bezeichner
- CAS
69739-34-0- PubChem CID
- 123564
- DTXSID
DTXSID50220034- UNII
- EE45S257MT
- EC Number
- 274-102-0
- Nikkaji
- J267.418A
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 51,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 321
Experimentelle und physikochemische Eigenschaften
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
Physikochemische Eigenschaften
- Schmelzpunkt
- 0 °C · <0°C
- Siedepunkt
- 65 · 65-67 °C12 mm Hg(lit.)
- Dichte
- 1.151 g/mL · 1.151 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.385(lit.)
- Flammpunkt
- 98 °F · 98 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Slightly miscible with chloroform.
- Aggregatzustand
- Fuming Liquid
- Wichte
- 1.151 · 1.151
- Farbe
- Clear colorless to yellow
- Wasserlöslichkeit
- DECOMPOSES
- BRN
- 2370068 · 2370068
- Stabilität
- Moisture Sensitive
- InChI
- 1S/C7H15F3O3SSi/c1-6(2,3)15(4,5)13-14(11,12)7(8,9)10/h1-5H3
- InChIKey
- WLLIXJBWWFGEHT-UHFFFAOYSA-N
- SMILES
- CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F
- CAS Datenbank
- 69739 · 69739-34-0(CAS DataBase Reference)
- NIST chemische Informationen
- Tert-butyldimethylsilyl trifluoromethanesulfonate(69739-34-0)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Methanesulfonic acid, trifluoro-, (1,1-dimethylethyl)dimethylsilyl ester
Status: Active Update: 20-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/27312
Butyldimethylsilyl trifluoromethanesulphonate, t-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Sicherheitsdaten
- F
- 10-21
- wgk
- 3
- tsca
- No
- ridadr
- UN 2920 8/PG 2
- hs_code
- 29310095
- risk_code
- 10-34-37
- hazard_code
- C,F
- hazard_note
- Flammable/Corrosive
- safety_code
- 26-36/37/39-45-25-16
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 3Skin Corr. 1BSTOT SE 3
Chemie und Industrie
Anwendungen
VerwendenTrifluoroMethanesulfonic acid tert-butyldiMethylsilyl ester is a highly reactive silylating agent and lewis acid capable of converting primary, secondary and tertiary alcohols to their respectctive TBDMS. TrifluoroMethanesulfonic acid tert-butyldiMethylsilyl ester is also used to covert ketones and lactones into their enol silyl ethers.
Darstellung
synthetischeto 24 g (0.16 mol) of t-butyldimethylchlorosilane at 23°C under argon is added 14 mL (0.16 mol) of trifluoromethanesulfonic acid dropwise. The solution is heated at 60°C for 10 h, at which time no further hydrogen chloride evolves (removed through a bubbler). The resulting product is distilled under reduced pressure: 34 g (80% yield) of TBDMS triflate; bp 60°C/7 mmHg.
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