Methyl triflate
Structural formula
| Business number | 049H |
|---|---|
| Molecular formula | C2H3F3O3S |
| Molecular weight | 164.10 |
| label |
Methyl trifluoromethanesulfonate, Methyl triflate, Methyl trifluoromethanesulfonate, Methyl trifluoromethanesulfonic acid, Methanesulfonicacid,trifluoro-,methylester, methyltrifluoromethanesulfinate, trifluoromethane-sulfinicacid,methylester, trifluoro-methanesulfonicacimethylester, METHYL TRIFLUOROMETHANESULPHONATE, METHYL TRIFLUOROMETHANESULFONATE, METHYL TRIFLATE, TRIFLUOROMETHAN |
Numbering system
CAS number:333-27-7
MDL number:MFCD00000409
EINECS number:206-371-7
RTECS number:None
BRN number:774772
PubChem ID:None
Physical property data
一 , physical property data
Traits ：Colorless to transparent yellow liquid
Density (g/mL,25/4℃): 1.45
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC):Not available
Boiling point (ºC, normal pressure): 95
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: 1.326
Flash Point (ºC): 101℉
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 Properties: 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: 22.22
2. Molar Volume (m3/mol）：105.3
3. isotonic specific volume (90.2K):238.1
4. Surface tension (dyne/cm) ：26.1
5. Polarizability(10-24cm3): 8.80
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.9
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 51.8
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 172
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
Storage method
Store at 0-6℃.
Synthesis method
None
Purpose
None
