Ethyl trifluoromethanesulfonate
Structural formula
| Business number | 04SJ |
|---|---|
| Molecular formula | C3H5F3O3S |
| Molecular weight | 178.13 |
| label |
Ethyl trifluoromethanesulfonate, Ethyl trifluoromethanesulfonate, ETHYL TRIFLATE, ETHYL TRIFLUOROMETHANESULFONATE, ETHYL TRIFLUOROMETHANESULPHONATE, TRIFLUOROMETHANESULFONIC ACID ETHYL ESTER, trifluoro-methanesulfonicaciethylester, Ethyl triflate~Trifluoromethanesulphonic acid ethyl ester, Ethyltrifluoromethanesulfonate,99%, M |
Numbering system
CAS number:425-75-2
MDL number:MFCD00000410
EINECS number:207-037-3
RTECS number:None
BRN number:1770746
PubChem number:24889543
Physical property data
一 , physical property data
Traits ：Not available
Density (g/mL,25/4℃): 1.374
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC): Not available
Boiling point (ºC, normal pressure): 115
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: 1.336
Flash Point (ºC): Not available
Optical rotation (º): Not available
Spontaneous combustion Point or ignition temperature (ºC): Not available
Steam Pressure (kPa, 25ºC): Not available
saturated Vapor pressure (kPa, 60ºC): Not available
Burn Heat (KJ/mol):Not available
Critical Temperature (ºC): Not available
Critical Pressure (KPa): Not available
oil and water Log value of the (octanol/water) partition coefficient:Not available
Explosion Upper limit (%, V/V): Not available
Explosion Lower limit (%, V/V): Not available
Dissolve Sex: Not available
Toxicological data
Two , Toxicological data:
Acute Toxicity:Not available .
Ecological data
Three , Ecological data:
1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.
Molecular structure data
1、 Molar refractive index:26.85
2、 Molar volume（m3/mol)：121.8
3, Isotonic specific volume (90.2K): 277.9
4、 Surface tension（dyne/cm)：27.0
5、 Polarizability(10-24cm3）：10.64
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.2
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 51.8
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 186
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
