2-(Trimethylsilyl)phenyl trifluoromethanesulfonate

HCID 3384007CAS 88284-48-4

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Grundinformationen

Standard-SMILES: C[Si](C)(C)c1ccccc1OS(=O)(=O)C(F)(F)F
InChIKey: XBHPFCIWRHJDCP-UHFFFAOYSA-N
Summenformel: C10H13F3O3SSi
Durchschnittliche Molmasse: 298,36 g/mol
Monoisotopische Masse: 298,03067647

Namen und Bezeichner

Bevorzugter Name: 2-(Trimethylsilyl)phenyl trifluoromethanesulfonate
IUPAC: (2-trimethylsilylphenyl) trifluoromethanesulfonate
Englischer Name: 2-(Trimethylsilyl)phenyl trifluoromethanesulfonate
Summenformel: C10H13F3O3SSi
Molmasse: 298.35

Namen und Synonyme

2-(Trimethylsilyl)phenyl trifluoromethanesulfonate88284-48-4DTXSID00391985RefChem:254971DTXCID50342846629-383-8(2-trimethylsilylphenyl) trifluoromethanesulfonate2-(Trimethylsilyl)phenyl TriflateMFCD00799598C10H13F3O3SSi2-(Trimethylsilyl)phenyltrifluoromethanesulfonateAKOS015856668

Weitere Namen anzeigen

DK943DKSI110DKFELEX0252TriMethylsilyl)phenyl trifluoroMethanesulfona2-(TRIMETHYLSILYL)PHENYL TRIFLUOROMETHANESULFOTE2-(trimethylsilyl)phenyl trifluoromethane-sulfona2-(TriMethylsilyl)phenyl trifluoroMethanesulfonate 97%

DS-16426SY057456Trifluoromethanesulfonic Acid 2-(Trimethylsilyl)phenyl Ester2-(Trimethylsilyl)phenyl trifluoromethanesulfonate, 97%(TRIMETHYLSILYL)PHENYL TRIFLATE2-(TrimMethanesulfonic acid, trifluoro-, 2-(trimethylsilyl)phenyl esterSCHEMBL1713611

Datenbank-Bezeichner

CAS: 88284-48-4
PubChem CID: 3384007
DTXSID: DTXSID00391985
EC Number: 629-383-8
Nikkaji: J1.151.519C

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 51,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 3
Schwere Atome: 18
Formalladung: 0
Komplexität: 381

Physikochemische Eigenschaften

Siedepunkt: 70 °C/2 · 70 °C/2 mmHg (lit.)
Dichte: 1.229 g/mL · 1.229 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.456(lit.)
Flammpunkt: 205 °F · 205 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
Wichte: 1.229 · 1.229
InChI: InChI=1S/C10H13F3O3SSi/c1-18(2,3)9-7-5-4-6-8(9)16-17(14,15)10(11,12)13/h4-7H,1-3H3
InChIKey: XBHPFCIWRHJDCP-UHFFFAOYSA-N
SMILES: C(F)(F)(F)S(OC1=CC=CC=C1[Si](C)(C)C)(=O)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29319090
risk_code: 34
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: Ⅱ
Speicherklasse: 8A - Combustible corrosive hazardous materials

Chemie und Industrie

Anwendungen

Verwenden2-(Trimethylsilyl)phenyl trifluoromethanesulfonate may be used to generate benzyne under mild conditions of simple fluoride treatment at room temperature.