2,2,2-Trifluoroethyl trifluoromethanesulfonate
Grundinformationen
- CAS
6226-25-1- Standard-SMILES
O=S(=O)(OCC(F)(F)F)C(F)(F)F- InChIKey
RTMMSCJWQYWMNK-UHFFFAOYSA-N- Summenformel
- C3H2F6O3S
- Durchschnittliche Molmasse
- 232,1 g/mol
- Monoisotopische Masse
- 231,96288424
Namen und Bezeichner
- Bevorzugter Name
- 2,2,2-Trifluoroethyl trifluoromethanesulfonate
- IUPAC
- 2,2,2-trifluoroethyl trifluoromethanesulfonate
- Englischer Name
- 2,2,2-Trifluoroethyl trifluoromethanesulfonate
- Summenformel
- C3H2F6O3S
- Molmasse
- 232.1
Namen und Synonyme
2,2,2-Trifluoroethyl trifluoromethanesulfonateRefChem:440556458-390-7612-977-66226-25-12,2,2-Trifluoroethyltrifluoromethanesulfonate2,2,2-Trifluoroethyl triflateMethanesulfonic acid, trifluoro-, 2,2,2-trifluoroethyl esterMFCD00671579Trifluoromethanesulfonic Acid 2,2,2-Trifluoroethyl Ester2,2,2-trifluoroethyltrifluoromethanesulphonate2,2,2-trifluoroethyl trifluoromethanesulphonate
Weitere Namen anzeigen
TFOL-TF2,2,2-Trifluoroethyl Triflante2,2,2-Trifluoroethyl trifluoromethanesulf2-Trifluoroethyl trifluoromethanesulfonate2,2,2-Trifluoroethytrifluoromethanesulfonate2,2,2-Trifluoroethyl trifluoromethanesulfote2,2,2-Trifluoroethyl trifluoroMethylsulfonate
2,2,2-trifluoroethyl trifluoromethane-sulfonate2,2,2-trifluoroethyl trifluoromethane sulfonateTrifluoromethanesulfonic Acid 2,2,2-Trifluoroethyl Ester; 2,2,2-Trifluoroethanol Trifluoromethanesulfonate; 2,2,2-Trifluoroethyl trifluoromethanesulfonate; 2,2,2-Trifluoroethyl trifluoromethylsulfonate;Trifluoroethyltriflatetrifluoroethyl triflateCF3CH2OTftrifluoroethanol triflateCF3CH2OSO2CF3
Datenbank-Bezeichner
- CAS
6226-25-1- PubChem CID
- 80366
- DTXSID
DTXSID1073365- UNII
- KXY6L2J6TQ
- EC Number
- 458-390-7、612-977-6
- Nikkaji
- J969.263K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 51,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 254
Experimentelle und physikochemische Eigenschaften
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
Physikochemische Eigenschaften
- Siedepunkt
- 89 · 89-91°C
- Dichte
- 1 · 1,61 g/cm3
- Brechungsindex
- 1.3037 · 1.3037
- Flammpunkt
- 110 ° · >110°(230°F)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform, Methanol (Slightly)
- Aggregatzustand
- Liquid
- Farbe
- Colorless to yellow
- Wasserlöslichkeit
- Slightly soluble in water.
- InChI
- InChI=1S/C3H2F6O3S/c4-2(5,6)1-12-13(10,11)3(7,8)9/h1H2
- InChIKey
- RTMMSCJWQYWMNK-UHFFFAOYSA-N
- SMILES
- C(F)(F)(F)S(OCC(F)(F)F)(=O)=O
- CAS Datenbank
- 6226 · 6226-25-1(CAS DataBase Reference)
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
H301 (85.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 91 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H226 (14.3%): Flammable liquid and vapor [Warning Flammable liquids]
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 19-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34098
Hazard Classes and Categories
Flam. Liq. 3 (14.3%)
Acute Tox. 3 (85.7%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 3265
- hs_code
- 29055900
- risk_code
- 36/37/38-34-23/25
- hazard_code
- Xi,T,C
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- Ⅱ
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Chemie und Industrie
Anwendungen
Verwenden2,2,2-Trifluoroethyl trifluoromethanesulfonate is a powerful trifluoroethylating agent which is useful for synthesis of fluorinated amino acids. It is used as a reagent in thenantioselective preparation of cyclic N-aryl hydroxamic acids via phase-transfer catalyzed alkylation of nitrobenzyl bromides to give nirophenylalanines.
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