CAS No.6226-25-1,2,2,2-Trifluoroethyl trifluoromethanesulfonate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6226-25-1
Name:	2,2,2-Trifluoroethyl trifluoromethanesulfonate

Formula:	C₃H₂F₆O₃S
Molecular Weight:	232.103
Synonyms:	Methanesulfonicacid, trifluoro-, 2,2,2-trifluoroethyl ester (7CI,8CI,9CI);Ethanol, 2,2,2-trifluoro-,trifluoromethanesulfonate (8CI);2,2,2-Trifluoroethyl triflate;2,2,2-Trifluoroethyl trifluoromethanesulfonate;2,2,2-Trifluoroethyltrifluoromethylsulfonate;Trifluoromethanesulfonic acid 2,2,2-trifluoroethylester;
EINECS:	458-390-7
Density:	1.679 g/cm³
Boiling Point:	102.8 °C at 760 mmHg
Flash Point:	16 °C
Solubility:	Slightly soluble in water.
Appearance:	colorless liquid
Hazard Symbols:	Xi,T,C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	51.75000
LogP:	2.49570

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Specification

The IUPAC name of this product is 2,2,2-trifluoroethyl trifluoromethanesulfonate. With the CAS registry number 6226-25-1, it is also named as Methanesulfonic acid, trifluoro-, 2,2,2-trifluoroethyl ester; Methanesulfonic acid, 1,1,1-trifluoro-, 2,2,2-trifluoroethyl ester. The product's categories are fluorinated building blocks, fluorinating reagents & building blocks for fluorinated biochemical compounds and synthetic organic chemistry.

The 2,2,2-Trifluoroethyl trifluoromethanesulfonate can be widely used as catalyst and precursor in organic chemistry. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

The 2,2,2-Trifluoroethyl trifluoromethanesulfonate can be obtained by 2,2,2-trifluoro-ethanol and trifluoro-methanesulfonic acid anhydride.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 30.71; (6)ACD/BCF (pH 7.4): 30.71; (7)ACD/KOC (pH 5.5): 403.84; (8)ACD/KOC (pH 7.4): 403.84; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.317; (13)Molar Refractivity: 27.22 cm³; (14)Molar Volume: 138.2 cm³; (15)Polarizability: 10.79×10^-24 cm³; (16)Surface Tension: 22.6 dyne/cm; (17)Enthalpy of Vaporization: 32.78 kJ/mol; (18)Vapour Pressure: 38.3 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 231.962884; (21)MonoIsotopic Mass: 231.962884; (22)Topological Polar Surface Area: 51.8; (23)Heavy Atom Count: 13.

People can use the following data to convert to the molecule structure. SMILES: FC(F)(F)S(=O)(=O)OCC(F)(F)F; InChI: InChI=1/C3H2F6O3S/c4-2(5,6)1-12-13(10,11)3(7,8)9/h1H2; InChIKey: RTMMSCJWQYWMNK-UHFFFAOYAJ. 2,2,2-Trifluoroethyl trifluoromethanesulfonate has many suppliers, such as Jiangsu Wisdom Pharmaceutical Co., Ltd., Nanjing Wisdompharm Chemical Co., Ltd. and Shanghai Kejin Fine Chemical Co., Ltd..

The following is the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LC50	inhalation	876ppm/6H (876ppm)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BLOOD: HEMORRHAGE	National Technical Information Service. Vol. OTS0530474-2,
rat	LDLo	oral	5gm/kg (5000mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	National Technical Information Service. Vol. OTS0530474,