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