o-tolyl benzoate
Structural formula
| Business number | 06HS |
|---|---|
| Molecular formula | C14H12O2 |
| Molecular weight | 212.25 |
| label |
None yet |
Numbering system
CAS number:617-02-7
MDL number:MFCD00041330
EINECS number:210-501-8
RTECS number:None
BRN number:1873222
PubChem ID:None
Physical property data
Physical property data:
1. Density (g/mL ,25/4℃): 1.091
2. Boiling point (ºC):170 -172
Toxicological data
None yet
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.
Molecular structure data
5. Molecular property data: 1, Molar refractive index:63.78 2, Molar volume (m3/mol):188.6 3, Isotonic specific volume (90.2K ):489.1 4 , Surface Tension (dyne/cm): 45.1 5、 Polarizability (10-24cm3): 25.28
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: 2
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 16
8. Surface charge: 0
9. Complexity: 231
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
Properties and stability:
No decomposition products may occur under normal temperatures and pressures.
Storage method
Storage:
Seal the secret container and store it in a sealed main container in a cool place Dry position.
Synthesis method
None yet
Purpose
None yet