2,2,2-triphenylacetophenone
Structural formula
| Business number | 050E |
|---|---|
| Molecular formula | C26H20O |
| Molecular weight | 348.44 |
| label |
2,2,2-triphenylacetophenone, Benzopinacolone, Benzopinacolone, Phenyl trityl ketone, (C6H5)3CCOC6H5 |
Numbering system
CAS number:466-37-5
MDL number:MFCD00004762
EINECS number:207-375-1
RTECS number:None
BRN number:2058376
PubChem ID:None
Physical property data
1. Character: White
2. Density (g/ m3, 25/4℃): Undetermined
3. Relative steam Density (g/cm3, air=1): Undetermined
4. Melting point (ºC): 182-184
5. Boiling point (ºC , normal pressure): 498
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
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) : 76.7
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/ Log value of the distribution coefficient (water): 6.26
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined Confirm
19. Solubility: Hardly soluble in water
Toxicological data
None yet
Ecological data
Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 109.13
2. Molar volume (cm3/mol): 308.7
3. Isotonic specific volume (90.2K ): 804.9
4. Surface tension (dyne/cm): 46.2
5. Polarizability (10-24cm3): 43.26
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 6.4
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 5
5. Number of tautomers: none
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 27
8. Surface charge: 0
9. Complexity: 411
10. Same asNumber of atomic atoms: 0
11. Determined number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13 .Determined number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
Seal and store in a ventilated, dry place to avoid contact with other oxides.
Synthesis method
1. Preparation method:
In a 1L round-bottomed flask equipped with a reflux condenser, add 1g of iodine, 500mL of glacial acetic acid, and 100g (0.27mol) of phenylpinacol (2). Slowly heat to boiling while shaking, the solid will dissolve in about 5 minutes, and a red solution will be generated. Immediately transfer the reaction solution to a 1L beaker, cool it, and precipitate the solid, filter it with suction, and wash it with glacial acetic acid 2 to 3 times until it is colorless and dry to obtain almost pure compound (1), which weighs 90 to 91 g and has a yield of 95% to 95%. 96%, mp178~179℃. Dissolve it in 450mL hot benzene, filter, then add 250mL petroleum ether (90~100℃), cool, filter and dry to obtain 82~83g of pure product (1), mp179~180℃[1]
Purpose
None yet
