4-methylbenzophenone

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:134-84-9

MDL number:MFCD00008553

EINECS number:205-159-1

RTECS number:DJ1750000

BRN number:1909310

PubChem number:24896789

Physical property data

Melting point (ºC): 59

Boiling point (ºC): 326

Crystalline phase standard combustion heat (enthalpy) (kJ·mol^-1): -7146.3

Crystal phase standard claims heat (enthalpy) (kJ·mol^-1): -77.8

Toxicological data

Acute toxicity data:

Mouse abdominal LD50: 250mg/kg

Ecological data

None

Molecular structure data

Molecular property data:

1. Molar refractive index: 60.87

2. Molar volume (cm³/mol): 183.8

3. Isotonic specific volume (90.2K): 464.5

4. Surface tension (3.0 dyne/cm): 40.7

5. Polarizability (0.5 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: 4

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

None

Synthesis method

None

Purpose

Used as ultraviolet absorber and pharmaceutical intermediate.