p-chlorobenzophenone

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:134-85-0

MDL number:MFCD00000622

EINECS number:205-160-7

RTECS number:None

BRN number:512043

PubChem number:24892495

Physical property data

None

Toxicological data

None

Ecological data

None

Molecular structure data

Molecular property data:

1、 Molar refractive index60.94

2、 Molar volume (m³/mol): 179.4

3、 Isotonic specific volume（90.2K）：462.7

4、 Surface tension(3.0 dyne/cm):44.1

5、 Polarizability0.5 10^-24 cm³):24.15

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: none

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 213

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

White crystal powder. Melting point 75℃℃

Storage method

None

Synthesis method

Obtained from the condensation of benzoyl chloride and chlorobenzene: In a dry reaction pot, add chlorobenzene and anhydrous aluminum trichloride, stir and raise the temperature to 50°C, and add benzoyl chloride dropwise. After the addition, react at 100-110°C for 5.5 hours. Slowly add slightly acidic ice water, stir well and let it stand. Remove the supernatant, filter, wash until neutral, and spin dry to obtain 4-chlorobis. benzophenone.

Purpose

Pharmaceutical intermediates

urcevalue=”24″ hasspace=”False” negative=”True” numbertype=”1″ tcsc=”0″ w:st=”on”>^-24cm³):24.15

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: none

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 213

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

White crystal powder. Melting point 75℃℃

Storage method

None

Synthesis method

Obtained from the condensation of benzoyl chloride and chlorobenzene: In a dry reaction pot, add chlorobenzene and anhydrous aluminum trichloride, stir and raise the temperature to 50°C, and add benzoyl chloride dropwise. After the addition, react at 100-110°C for 5.5 hours. Slowly add slightly acidic ice water, stir well and let it stand. Remove the supernatant, filter, wash until neutral, and spin dry to obtain 4-chlorobis. benzophenone.

Purpose

Pharmaceutical intermediates