2-methylbenzophenone

Structural formula

Business number	03N4
Molecular formula	C14H12O
Molecular weight	196.24
label	CH3C6H4COC6H5, 2-methylbenzophenone, 2-methylbenzophenone, (2-Methylphenyl)phenyl-methanon, aromatic compounds

• 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.