2,2,2-triphenylacetophenone

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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