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.