4-Acetylbiphenyl

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:92-91-1

MDL number:MFCD00008749

EINECS number:202-202-6

RTECS number:AM9662502

BRN number:1101615

PubChem number:24845113

Physical property data

1. Characteristics: white flaky crystals.

2. Density ( g/mL,25/4℃): Undetermined

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point ( ºC): 121

5. Boiling point ( ºC,Normal pressure):325-327

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): Not OK

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturation vapor pressure (kPa,60ºC): Undetermined

13. Burn Heat (KJ/mol ): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical Pressure (KPa): Undetermined

16. Oil and water (octanol/Water) partition coefficient pair Value: Undetermined

17. Explosion limit (%,V/V): Not OK

18.Lower explosion limit (%,V/V): Undetermined

19. Solubility: Easily soluble in Ethanol and acetone are insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 60.87

2. Molar Volume (m³/mol）：186.2

3. isotonic specific volume (90.2K):465.8

4. Surface Tension (dyne/cm):39.1

5 , Polarizability(10^-24cm³):24.13

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 2

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 207

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

None

Storage method

Save in sealed format.

Synthesis method

None

Purpose

Inhibitor of carotene formation. Organic Synthesis.

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