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.
