3,3-diphenylpropionic acid

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: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.

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