2-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:131-58-8

mdl number:mfcd00008518

einecs number:205-032-0

rtecs number:none

brn number:none

pubchem number:24849684

physical property data

1. character: colorless or light yellow transparent liquid

2. density (g/ml ,25/4℃）： 1.083

3.        refractive index (nd20):1.593-1.595

4. melting point (℃):-18

5. boiling point (ºc):309 -311

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1、 moore refractive index: 60.87

2、 moore volume (m³/mol):183.8

3、 isotonic specific volume (90.2k) ：464.5

4、 surface tension (dyne/cm):40.7

5、 2、 molar volume (m ³/mol）：183.8

3、 isotonic specific volume (90.2k) ：464.5

4、 surface tension (dyne/cm):40.7

5、 polarizability (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: none

6. topological molecule polar surface area 17.1

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 215

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 yet

storage method

none yet

synthesis method

none yet

purpose

usage

pharmaceutical intermediates.

�; mso-font-kerning: 0pt; mso-ascii-font-family: arial; mso-hansi-font-family: arial; mso-bidi-font-family: arial”>polarizability (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: none

6. topological molecule polar surface area 17.1

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 215

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 yet

storage method

none yet

synthesis method

none yet

purpose

usage

pharmaceutical intermediates.