2,2,2-Trifluoroethyl methanesulfonate supplier

Name
2,2,2-TRIFLUOROETHYL METHANESULFONATE
EINECS
CAS No. 25236-64-0
Article Data14
CAS DataBase
Density 1.461 g/cm³
Solubility
Melting Point
Formula C₃H₅F₃O₃S
Boiling Point 189.7 °C at 760 mmHg
Molecular Weight 178.132
Flash Point 68.5 °C
Transport Information UN 3265
Appearance
Safety 26-36/37/39-45
Risk Codes 34-35
Molecular Structure
Hazard Symbols C
Synonyms Ethanol,2,2,2-trifluoro-, methanesulfonate (8CI,9CI);2,2,2-Trifluoroethylmethanesulfonate;2,2,2-Trifluoroethyl methylsulfonate;
PSA 51.75000
LogP 1.60570

2,2,2-Trifluoroethyl methanesulfonate Specification

The IUPAC name of 2,2,2-Trifluoroethyl methanesulfonate is 2,2,2-trifluoroethyl methanesulfonate. With the CAS registry number 25236-64-0, it is also named as Ethanol,2,2,2-trifluoro-, 1-methanesulfonate. The product's categories are Small molecule; Fluorinated Building Blocks; Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds; Synthetic Organic Chemistry. Besides, it is sensitive to humidity, which should be stored under argon. In addition, its molecular formula is C₃H₅F₃O₃S and molecular weight is 178.13.

The other characteristics of 2,2,2-Trifluoroethyl methanesulfonate can be summarized as: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4): 0.74; (5)ACD/BCF (pH 5.5): 2.14; (6)ACD/BCF (pH 7.4): 2.14; (7)ACD/KOC (pH 5.5): 59.92; (8)ACD/KOC (pH 7.4): 59.92; (9)H bond acceptors: 3; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.75 Å²; (13)Index of Refraction: 1.359; (14)Molar Refractivity: 26.85 cm³; (15)Molar Volume: 121.8 cm³; (16)Polarizability: 10.64×10^-24cm³; (17)Surface Tension: 27 dyne/cm; (18)Density: 1.461 g/cm³; (19)Flash Point: 68.5 °C; (20)Enthalpy of Vaporization: 40.85 kJ/mol; (21)Boiling Point: 189.7 °C at 760 mmHg; (22)Vapour Pressure: 0.778 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:FC(F)(F)COS(=O)(=O)C
(2)InChI:InChI=1/C3H5F3O3S/c1-10(7,8)9-2-3(4,5)6/h2H2,1H3
(3)InChIKey:ICECLJDLAVVEOW-UHFFFAOYAL
(4)Std. InChI:InChI=1S/C3H5F3O3S/c1-10(7,8)9-2-3(4,5)6/h2H2,1H3
(5)Std. InChIKey:ICECLJDLAVVEOW-UHFFFAOYSA-N

Product Name

2,2,2-TRIFLUOROETHYL METHANESULFONATE

2,2,2-Trifluoroethyl methanesulfonate Specification

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