tert-Butyldimethylsilyltrifluormethansulfonat

tert-Butyldimethylsilyl trifluoromethanesulphonate

HCID 123564CAS 69739-34-0

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Grundinformationen

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 Å²
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

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 3 Einträge

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 · 1 Eintrag

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 · 1 Eintrag

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.