2,2,2-Trifluorethyl-p-toluolsulfonat

2,2,2-TRIFLUOROETHYL 4-METHYLBENZENESULFONATE · 2,2,2-trifluoroethyl ester · 100532 · TRIFLUORETHYLTOSYLATE · Trifluoroethyltosylate · Azithromycin Impurity 74 · TRIFLUOROETHANOL TOSYLATE · 2,2,2-TRIFLUOROETHYL P-TO

https://huagongshe.com/de/chemical/67942

Molekülstruktur von 2,2,2-Trifluorethyl-p-toluolsulfonat

Identifikatoren & physikalische Daten

CAS No.	433-06-7
Summenformel	C9H9F3O3S
Durchschnittliche Molmasse	254,23 g/mol
Monoisotopische Masse	254,02244981 g/mol
SMILES	Cc1ccc(S(=O)(=O)OCC(F)(F)F)cc1
InChIKey	IGKCQDUYZULGBM-UHFFFAOYSA-N
PubChem CID	67942
EC No.	207-085-5
DTXSID	DTXSID90883384
Lokaler Name	2,2,2-Trifluorethyl-p-toluolsulfonat

Chemische & physikalische Eigenschaften

XLogP	2,6
Polarare Oberfläche (TPSA)	51,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	3
Schwere Atome	16
Formalladung	0
Komplexität	310
Schmelzpunkt	36-38 °C(lit.)
Siedepunkt	87-92 °C0.1 mm Hg(lit.)
Dichte	1 g/cm3
Flammpunkt	>230 °F
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit	Chloroform (Sparingly), Methanol (Sparingly)
Aggregatzustand	Solid
Farbe	White to Off-White
BRN	2699394
Stabilität	Hygroscopic
InChI	1S/C9H9F3O3S/c1-7-2-4-8(5-3-7)16(13,14)15-6-9(10,11)12/h2-5H,6H2,1H3
InChIKey	IGKCQDUYZULGBM-UHFFFAOYSA-N
SMILES	Cc1ccc(cc1)S(=O)(=O)OCC(F)(F)F
CAS Datenbank	433-06-7(CAS DataBase Reference)
NIST chemische Informationen	Ethanol, 2,2,2-trifluoro-, 4-methylbenzenesulfonate(433-06-7)
EPA chemische Informationen	Ethanol, 2,2,2-trifluoro-, 4-methylbenzenesulfonate (433-06-7)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (97.8%): Causes skin irritation [Warning Skin corrosion/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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (97.8%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
Zollcode	29049090
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26
Gefahrenklasse	IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

2,2,2-Trifluoroethyl Tosylate is a trifluoroethylation agent used in the preparation of 2,2,2-trifluoroethyl phenyl sulfone, a potential 2,2,2-trifluoroethyl pronucleophile.