2,2,2-Trifluoroethyl p-toluenesulfonate
Structural formula
| Business number | 04T6 |
|---|---|
| Molecular formula | C9H9F3O3S |
| Molecular weight | 254.23 |
| label |
2,2,2-Trifluoroethyl p-toluenesulfonate, 2,2,2-Trifluoro-p-toluenesulfonate ethyl ester, 2,2,2-Trifluoroethyltoluenesulfonic acid, Trifluoroethyl p-toluenesulfonate, 2,2,2-Trifluoroethyl p-toluenesulfonate, 98+%, P-TOLUENESULFONIC ACID 2,2,2-TRIFLUOROETHYL ESTER, TRIFLUORETHYLTOSYLATE, TRIFLUOROETHANOL TOSYLATE, 2,2,2-trifluoro-ethano4-methylbenzenesulfonate, Ethanol, 2,2,2-trifluoro-, p-toluenesulfonate, 2,2,2-TRIFLUOROETHYL TOSYLATE, 2,2,2-TRIFLUOROETHYL P-TOLUENESULF |
Numbering system
CAS number:433-06-7
MDL number:MFCD00000443
EINECS number:207-085-5
RTECS number:None
BRN number:2699394
PubChem number:24850693
Physical property data
一 , physical property data
Traits ：Not available
Density (g/mL,25/4℃): Not available
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC): 36-38
Boiling point (ºC, normal pressure): 87-92
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: Not available
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 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:51.55
2、 Molar volume（m3/mol)：186.7
3、 Isotonic specific volume (90.2K):445.7
4、 Surface tension（dyne/cm)：32.4
5、 Polarizability(10-24cm3）：20.43
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 51.8
7. Number of heavy atoms: 16
8. Surface charge: 0
9. Complexity: 310
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
