3,3-diphenylpropionic acid
structural formula
| business number | 069e |
|---|---|
| molecular formula | c15h14o2 |
| molecular weight | 226.27 |
| label |
β-phenylpropionic acid, β-phenylhydrocinnamic acid, diphenylpropionic acid, diphenylmethylacetic acid, (c6h5)2chch2cooh |
numbering system
cas number:606-83-7
mdl number:mfcd00002717
einecs number:210-125-4
rtecs number:none
brn number:1912506
pubchem number:24867077
physical property data
physical property data:
1. appearance: white powdery solid
2. melting point157℃
3. solubility: soluble in ethanol and benzene, insoluble in water
toxicological data
none yet
ecological data
3. ecological data:
1. other harmful effects: this substance may be harmful to the environment and should be harmful to water bodies. give special attention.
molecular structure data
5. molecular property data:
1, molar refractive index:66.40
2, molar volume (m3/mol):197.2
3, isotonic specific volume (90.2k)：518.3
4, surface tension (dyne/cm):47.7
5, polarizability (10-24cm3 ):26.32
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: 2
4. number of rotatable chemical bonds: 4
5. number of tautomers: none
6. topological molecule polar surface area 37.3
7. number of heavy atoms: 17
8. surface charge: 0
9. complexity: 219
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
1. properties: white powdery solid.
storage method
storage:
seal the secret container and store it in a sealed main container in a cool place dry position.
synthesis method
2. preparation method: obtained by hydrocarbonization of cinnamic acid and benzene in the presence of anhydrous aluminum trichloride .
purpose
3. uses: used as pharmaceutical intermediates.
