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.
