4-methylbenzophenone
Structural formula
| Business number | 03PQ |
|---|---|
| Molecular formula | C14H12O |
| Molecular weight | 196.25 |
| label |
(4-Methylphenyl)phenylmethanone, 4-methylbenzophenone, p-Methylbenzophenone, Photoinitiator MBP, 4-Methyldibenzoone, (4-methylphenyl)(phenyl)methanone, p-Methylbenzophenone, UV absorber |
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.
