Structural formula
| Business number | 07FQ |
|---|---|
| Molecular formula | C14H11F3O |
| Molecular weight | 252.23 |
| label |
CF3C6H4CH(OH)C6H5, aromatic compounds |
Numbering system
CAS number:727-98-0
MDL number:MFCD00014396
EINECS number:None
RTECS number:None
BRN number:None
PubChem number:24878361
Physical property data
1. Character: Undetermined
2. Density (g/mL,25/4℃):1.311
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,Normal pressure):273-274
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index:1.537
8. Flashpoint (ºC): >110
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of partition coefficient (water): undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 62.08
2. Molar volume（m3/ mol）：200.6
3. isotonic ratio（90.2K)：490.9
4. Surface Tension(dyne/cm)：35.8
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability: 24.61
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 20.2
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 258
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
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
